PubChemLite - 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]+	358.25881	191.8
[M+Na]+	380.24075	194.6
[M+NH4]+	375.28535	206.1
[M+K]+	396.21469	204.8
[M-H]-	356.24425	186.6
[M+Na-2H]-	378.22620	187.9
[M]+	357.25098	189.8
[M]-	357.25208	189.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

358.25881

191.8

[M+Na]+

380.24075

194.6

[M+NH4]+

375.28535

206.1

[M+K]+

396.21469

204.8

[M-H]-

356.24425

186.6

[M+Na-2H]-

378.22620

187.9

[M]+

357.25098

189.8

[M]-

357.25208

189.8

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