CID 79198664

2-(5-hydroxypentanamido)acetic acid

Structural Information

Molecular Formula

C₇H₁₃NO₄

SMILES

C(CCO)CC(=O)NCC(=O)O

InChI

InChI=1S/C7H13NO4/c9-4-2-1-3-6(10)8-5-7(11)12/h9H,1-5H2,(H,8,10)(H,11,12)

InChIKey

YYDUOQZPMOUVSY-UHFFFAOYSA-N

Compound name

2-(5-hydroxypentanoylamino)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 175.08446 Da
Monoisotopic Mass: -0.9
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]+	176.09174	138.5
[M+Na]+	198.07368	144.9
[M+NH4]+	193.11828	143.3
[M+K]+	214.04762	142.3
[M-H]-	174.07718	135.1
[M+Na-2H]-	196.05913	138.9
[M]+	175.08391	137.7
[M]-	175.08501	137.7

Literature stripe

literature stripe

Patent stripe

patents stripe