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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.04729 130.2
[M+Na]+ 174.02923 136.9
[M-H]- 150.03273 128.8
[M+NH4]+ 169.07383 150.9
[M+K]+ 190.00317 135.1
[M+H-H2O]+ 134.03727 126.9
[M+HCOO]- 196.03821 146.5
[M+CH3COO]- 210.05386 175.2
[M+Na-2H]- 172.01468 132.2
[M]+ 151.03946 129.4
[M]- 151.04056 129.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.