CID 12631503

Methyl n-(chloromethyl)-n-methylcarbamate

Structural Information

Molecular Formula
C4H8ClNO2
SMILES
CN(CCl)C(=O)OC
InChI
InChI=1S/C4H8ClNO2/c1-6(3-5)4(7)8-2/h3H2,1-2H3
InChIKey
VIAYKPRGTANQHW-UHFFFAOYSA-N
Compound name
methyl N-(chloromethyl)-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

137.02435 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.03163 124.0
[M+Na]+ 160.01357 132.4
[M-H]- 136.01707 126.2
[M+NH4]+ 155.05817 147.2
[M+K]+ 175.98751 132.6
[M+H-H2O]+ 120.02161 120.4
[M+HCOO]- 182.02255 145.3
[M+CH3COO]- 196.03820 175.9
[M+Na-2H]- 157.99902 130.0
[M]+ 137.02380 128.3
[M]- 137.02490 128.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe