CID 416256

Methyl 2-amino-3-chloropropanoate hydrochloride

Structural Information

Molecular Formula

C₄H₈ClNO₂

SMILES

COC(=O)C(CCl)N

InChI

InChI=1S/C4H8ClNO2/c1-8-4(7)3(6)2-5/h3H,2,6H2,1H3

InChIKey

KHUDJGGFFNDILT-UHFFFAOYSA-N

Compound name

methyl 2-amino-3-chloropropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 155
Patents: 137.02435 Da
Monoisotopic Mass: -0.2
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]+	138.03163	125.1
[M+Na]+	160.01357	132.9
[M-H]-	136.01707	125.2
[M+NH4]+	155.05817	147.1
[M+K]+	175.98751	131.8
[M+H-H2O]+	120.02161	121.6
[M+HCOO]-	182.02255	144.2
[M+CH3COO]-	196.03820	173.2
[M+Na-2H]-	157.99902	129.4
[M]+	137.02380	126.4
[M]-	137.02490	126.4

Literature stripe

literature stripe

Patent stripe

patents stripe