CID 89494

N-myristoyl-l-serine

Structural Information

Molecular Formula

C₁₇H₃₃NO₄

SMILES

CCCCCCCCCCCCCC(=O)NC(CO)C(=O)O

InChI

InChI=1S/C17H33NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(20)18-15(14-19)17(21)22/h15,19H,2-14H2,1H3,(H,18,20)(H,21,22)

InChIKey

PNOPPKWUFKUHSX-UHFFFAOYSA-N

Compound name

3-hydroxy-2-(tetradecanoylamino)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 10
Patents: 315.24097 Da
Monoisotopic Mass: 4.7
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]+	316.24825	183.8
[M+Na]+	338.23019	184.5
[M-H]-	314.23369	179.3
[M+NH4]+	333.27479	196.4
[M+K]+	354.20413	181.9
[M+H-H2O]+	298.23823	176.9
[M+HCOO]-	360.23917	200.3
[M+CH3COO]-	374.25482	208.1
[M+Na-2H]-	336.21564	180.5
[M]+	315.24042	186.9
[M]-	315.24152	186.9

Literature stripe

literature stripe

Patent stripe

patents stripe