CID 160896

5-chloro-4-oxo-l-norvaline

Structural Information

Molecular Formula

C₅H₈ClNO₃

SMILES

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

InChI

InChI=1S/C5H8ClNO3/c6-2-3(8)1-4(7)5(9)10/h4H,1-2,7H2,(H,9,10)/t4-/m0/s1

InChIKey

RAAUBRQLKXXMQK-BYPYZUCNSA-N

Compound name

(2S)-2-amino-5-chloro-4-oxopentanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 9
References: 22
Patents: 165.01927 Da
Monoisotopic Mass: -3.1
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]+	166.02655	131.1
[M+Na]+	188.00849	139.1
[M+NH4]+	183.05309	137.1
[M+K]+	203.98243	136.4
[M-H]-	164.01199	128.5
[M+Na-2H]-	185.99394	132.5
[M]+	165.01872	131.2
[M]-	165.01982	131.2

Literature stripe

literature stripe

Patent stripe

patents stripe