CID 26121

Methyl n-(2-chloroethyl)-n-nitrosocarbamate

Structural Information

Molecular Formula
C4H7ClN2O3
SMILES
COC(=O)N(CCCl)N=O
InChI
InChI=1S/C4H7ClN2O3/c1-10-4(8)7(6-9)3-2-5/h2-3H2,1H3
InChIKey
ZIVWROYTZSSKDC-UHFFFAOYSA-N
Compound name
methyl N-(2-chloroethyl)-N-nitrosocarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.01453 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.02181 129.5
[M+Na]+ 189.00375 138.7
[M+NH4]+ 184.04835 136.6
[M+K]+ 204.97769 134.7
[M-H]- 165.00725 129.2
[M+Na-2H]- 186.98920 133.5
[M]+ 166.01398 130.5
[M]- 166.01508 130.5
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

No patent data available for this compound.