CID 388846

Nsc684040

Structural Information

Molecular Formula
C5H7ClN4O2
SMILES
CCOC(=O)NC1=NNN=C1Cl
InChI
InChI=1S/C5H7ClN4O2/c1-2-12-5(11)7-4-3(6)8-10-9-4/h2H2,1H3,(H2,7,8,9,10,11)
InChIKey
KZXRUNXKJCLDLN-UHFFFAOYSA-N
Compound name
ethyl N-(5-chloro-2H-triazol-4-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.02576 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.03304 136.3
[M+Na]+ 213.01498 145.6
[M-H]- 189.01848 134.9
[M+NH4]+ 208.05958 153.6
[M+K]+ 228.98892 142.7
[M+H-H2O]+ 173.02302 129.0
[M+HCOO]- 235.02396 153.4
[M+CH3COO]- 249.03961 177.6
[M+Na-2H]- 211.00043 141.6
[M]+ 190.02521 137.7
[M]- 190.02631 137.7
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.