CID 3027860

2-chloroethyl n-carbamoylcarbamate

Structural Information

Molecular Formula
C4H7ClN2O3
SMILES
C(CCl)OC(=O)NC(=O)N
InChI
InChI=1S/C4H7ClN2O3/c5-1-2-10-4(9)7-3(6)8/h1-2H2,(H3,6,7,8,9)
InChIKey
NWDWVJTZVDWYRG-UHFFFAOYSA-N
Compound name
2-chloroethyl N-carbamoylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.01453 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.02181 131.0
[M+Na]+ 189.00375 138.3
[M-H]- 165.00725 131.1
[M+NH4]+ 184.04835 151.5
[M+K]+ 204.97769 137.1
[M+H-H2O]+ 149.01179 126.8
[M+HCOO]- 211.01273 151.6
[M+CH3COO]- 225.02838 178.0
[M+Na-2H]- 186.98920 135.4
[M]+ 166.01398 132.1
[M]- 166.01508 132.1
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.