CID 21933615

38754-83-5

Structural Information

Molecular Formula

C₁₉H₃₅NO₅

SMILES

CCCCCCCCCCCCCC(=O)OC(=O)C(CCC(=O)O)N

InChI

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

InChIKey

QKDHKQPHVJERMB-UHFFFAOYSA-N

Compound name

4-amino-5-oxo-5-tetradecanoyloxypentanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2749
Patents: 357.25153 Da
Monoisotopic Mass: 2.8
XlogP (predicted)

Profile

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	194.3
[M+Na]+	380.240748	194.6
[M-H]-	356.244254	190.4
[M+NH4]+	375.285353	198.8
[M+K]+	396.214688	192.6
[M+H-H2O]+	340.248790	186.8
[M+HCOO]-	402.249731	200.6
[M+CH3COO]-	416.265381	217.3
[M+Na-2H]-	378.226196	188.4
[M]+	357.25098142	199.0
[M]-	357.25207858	199.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe