CID 65097

3-hydroxynorvaline

Structural Information

Molecular Formula

C₅H₁₁NO₃

SMILES

CCC(C(C(=O)O)N)O

InChI

InChI=1S/C5H11NO3/c1-2-3(7)4(6)5(8)9/h3-4,7H,2,6H2,1H3,(H,8,9)

InChIKey

LGVJIYCMHMKTPB-UHFFFAOYSA-N

Compound name

2-amino-3-hydroxypentanoic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 25
References: 2279
Patents: 133.0739 Da
Monoisotopic Mass: -2.4
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	128.9
[M+Na]+	156.063118	134.3
[M-H]-	132.066624	126.0
[M+NH4]+	151.107723	148.5
[M+K]+	172.037058	134.3
[M+H-H2O]+	116.071160	124.2
[M+HCOO]-	178.072101	148.2
[M+CH3COO]-	192.087751	170.9
[M+Na-2H]-	154.048566	130.5
[M]+	133.07335142	125.6
[M]-	133.07444858	125.6

Literature stripe

literature stripe

Patent stripe

patents stripe