CID 4193692

2-chloroethyl methylcarbamate

Structural Information

Molecular Formula

C₄H₈ClNO₂

SMILES

CNC(=O)OCCCl

InChI

InChI=1S/C4H8ClNO2/c1-6-4(7)8-3-2-5/h2-3H2,1H3,(H,6,7)

InChIKey

QFAYNDIHWGJSRD-UHFFFAOYSA-N

Compound name

2-chloroethyl N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 137.02435 Da
Monoisotopic Mass: 0.6
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	124.6
[M+Na]+	160.01357	132.8
[M-H]-	136.01707	125.2
[M+NH4]+	155.05817	147.1
[M+K]+	175.98751	131.6
[M+H-H2O]+	120.02161	121.1
[M+HCOO]-	182.02255	145.3
[M+CH3COO]-	196.03820	172.3
[M+Na-2H]-	157.99902	131.3
[M]+	137.02380	127.5
[M]-	137.02490	127.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe