CID 135563680

N-tetradecanoyl-(2s)-hydroxyglycine

Structural Information

Molecular Formula

C₁₆H₃₁NO₄

SMILES

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

InChI

InChI=1S/C16H31NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(18)17-15(19)16(20)21/h15,19H,2-13H2,1H3,(H,17,18)(H,20,21)/t15-/m0/s1

InChIKey

KIPDAEACRNPJOL-HNNXBMFYSA-N

Compound name

(2S)-2-hydroxy-2-(tetradecanoylamino)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 301.2253 Da
Monoisotopic Mass: 4.8
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]+	302.232576	179.4
[M+Na]+	324.214518	180.5
[M-H]-	300.218024	175.0
[M+NH4]+	319.259123	192.5
[M+K]+	340.188458	178.1
[M+H-H2O]+	284.222560	172.6
[M+HCOO]-	346.223501	196.2
[M+CH3COO]-	360.239151	205.1
[M+Na-2H]-	322.199966	176.6
[M]+	301.22475142	182.1
[M]-	301.22584858	182.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.