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

18
Patents

137.02435 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.031626 124.6
[M+Na]+ 160.013568 132.8
[M-H]- 136.017074 125.2
[M+NH4]+ 155.058173 147.1
[M+K]+ 175.987508 131.6
[M+H-H2O]+ 120.021610 121.1
[M+HCOO]- 182.022551 145.3
[M+CH3COO]- 196.038201 172.3
[M+Na-2H]- 157.999016 131.3
[M]+ 137.02380142 127.5
[M]- 137.02489858 127.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe