CID 10214391

2225144-83-0

Structural Information

Molecular Formula

C₅H₁₁NO₃

SMILES

C(CC(=O)O)C(CN)O

InChI

InChI=1S/C5H11NO3/c6-3-4(7)1-2-5(8)9/h4,7H,1-3,6H2,(H,8,9)

InChIKey

TYMZJFJDBQLYHB-UHFFFAOYSA-N

Compound name

5-amino-4-hydroxypentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 87
Patents: 133.0739 Da
Monoisotopic Mass: -3.8
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]+	134.081176	128.4
[M+Na]+	156.063118	134.1
[M-H]-	132.066624	125.5
[M+NH4]+	151.107723	148.1
[M+K]+	172.037058	133.5
[M+H-H2O]+	116.071160	123.7
[M+HCOO]-	178.072101	148.8
[M+CH3COO]-	192.087751	170.0
[M+Na-2H]-	154.048566	131.4
[M]+	133.07335142	125.9
[M]-	133.07444858	125.9

Literature stripe

literature stripe

Patent stripe

patents stripe