CID 104234

52558-73-3

Structural Information

Molecular Formula

C₁₇H₃₃NO₃

SMILES

CCCCCCCCCCCCCC(=O)N(C)CC(=O)O

InChI

InChI=1S/C17H33NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(19)18(2)15-17(20)21/h3-15H2,1-2H3,(H,20,21)

InChIKey

NGOZDSMNMIRDFP-UHFFFAOYSA-N

Compound name

2-[methyl(tetradecanoyl)amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 10789
Patents: 299.24603 Da
Monoisotopic Mass: 5.6
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]+	300.25331	180.9
[M+Na]+	322.23525	182.6
[M-H]-	298.23875	179.3
[M+NH4]+	317.27985	195.7
[M+K]+	338.20919	181.1
[M+H-H2O]+	282.24329	173.9
[M+HCOO]-	344.24423	200.2
[M+CH3COO]-	358.25988	211.0
[M+Na-2H]-	320.22070	178.6
[M]+	299.24548	186.5
[M]-	299.24658	186.5

Literature stripe

literature stripe

Patent stripe

patents stripe