CID 518783

13558-70-8

Structural Information

Molecular Formula

C₄H₆ClNO₃

SMILES

COC(=O)NC(=O)CCl

InChI

InChI=1S/C4H6ClNO3/c1-9-4(8)6-3(7)2-5/h2H2,1H3,(H,6,7,8)

InChIKey

SYWSERLZKPGKDI-UHFFFAOYSA-N

Compound name

methyl N-(2-chloroacetyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 151.00362 Da
Monoisotopic Mass: 0.3
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]+	152.01090	126.2
[M+Na]+	173.99284	135.7
[M+NH4]+	169.03744	133.2
[M+K]+	189.96678	131.9
[M-H]-	149.99634	124.7
[M+Na-2H]-	171.97829	129.4
[M]+	151.00307	127.0
[M]-	151.00417	127.0

Literature stripe

literature stripe

Patent stripe

patents stripe