CID 156855

Gamma-chloronorvaline

Structural Information

Molecular Formula

C₅H₁₀ClNO₂

SMILES

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

InChI

InChI=1S/C5H10ClNO2/c1-3(6)2-4(7)5(8)9/h3-4H,2,7H2,1H3,(H,8,9)/t3-,4-/m0/s1

InChIKey

RGNIDFUXHFKULB-IMJSIDKUSA-N

Compound name

(2S,4S)-2-amino-4-chloropentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 11
Patents: 151.04001 Da
Monoisotopic Mass: -2.0
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]+	152.047286	130.2
[M+Na]+	174.029228	136.9
[M-H]-	150.032734	128.8
[M+NH4]+	169.073833	150.9
[M+K]+	190.003168	135.1
[M+H-H2O]+	134.037270	126.9
[M+HCOO]-	196.038211	146.5
[M+CH3COO]-	210.053861	175.2
[M+Na-2H]-	172.014676	132.2
[M]+	151.03946142	129.4
[M]-	151.04055858	129.4

Literature stripe

literature stripe

Patent stripe

patents stripe