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]+	176.091736	138.2
[M+Na]+	198.073678	143.3
[M-H]-	174.077184	135.5
[M+NH4]+	193.118283	156.5
[M+K]+	214.047618	142.6
[M+H-H2O]+	158.081720	133.0
[M+HCOO]-	220.082661	159.0
[M+CH3COO]-	234.098311	177.2
[M+Na-2H]-	196.059126	141.4
[M]+	175.08391142	138.2
[M]-	175.08500858	138.2

Literature stripe

literature stripe

Patent stripe

patents stripe