Myristoyl glutamic acid (C19H35NO5)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O

InChI

InChI=1S/C19H35NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(21)20-16(19(24)25)14-15-18(22)23/h16H,2-15H2,1H3,(H,20,21)(H,22,23)(H,24,25)/t16-/m0/s1

InChIKey

MTJZWYHTZFVEGI-INIZCTEOSA-N

Compound name

(2S)-2-(tetradecanoylamino)pentanedioic acid

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	358.258806	193.8
[M+Na]+	380.240748	193.6
[M-H]-	356.244254	188.9
[M+NH4]+	375.285353	200.8
[M+K]+	396.214688	191.1
[M+H-H2O]+	340.248790	186.5
[M+HCOO]-	402.249731	202.7
[M+CH3COO]-	416.265381	216.1
[M+Na-2H]-	378.226196	188.5
[M]+	357.25098142	197.7
[M]-	357.25207858	197.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

358.258806

193.8

[M+Na]+

380.240748

193.6

[M-H]-

356.244254

188.9

[M+NH4]+

375.285353

200.8

[M+K]+

396.214688

191.1

[M+H-H2O]+

340.248790

186.5

[M+HCOO]-

402.249731

202.7

[M+CH3COO]-

416.265381

216.1

[M+Na-2H]-

378.226196

188.5

[M]+

357.25098142

197.7

[M]-

357.25207858

197.7

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Myristoyl glutamic acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe