CID 228810

L-2-amino-4-chloropent-4-enoate

Structural Information

Molecular Formula

C₅H₈ClNO₂

SMILES

C=C(CC(C(=O)O)N)Cl

InChI

InChI=1S/C5H8ClNO2/c1-3(6)2-4(7)5(8)9/h4H,1-2,7H2,(H,8,9)

InChIKey

WLZNZXQYFWOBGU-UHFFFAOYSA-N

Compound name

2-amino-4-chloropent-4-enoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 39
Patents: 149.02435 Da
Monoisotopic Mass: -1.8
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]+	150.03163	128.5
[M+Na]+	172.01357	137.0
[M+NH4]+	167.05817	135.2
[M+K]+	187.98751	133.8
[M-H]-	148.01707	126.5
[M+Na-2H]-	169.99902	130.4
[M]+	149.02380	128.9
[M]-	149.02490	128.9

Literature stripe

literature stripe

Patent stripe

patents stripe