CID 110484736

5-amino-n-cyclopropyl-1h-1,2,3-triazole-4-carboxamide

Structural Information

Molecular Formula
C6H9N5O
SMILES
C1CC1NC(=O)C2=NNN=C2N
InChI
InChI=1S/C6H9N5O/c7-5-4(9-11-10-5)6(12)8-3-1-2-3/h3H,1-2H2,(H,8,12)(H3,7,9,10,11)
InChIKey
CPCKKMGSXQLFEC-UHFFFAOYSA-N
Compound name
5-amino-N-cyclopropyl-2H-triazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.0807 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.08798 138.0
[M+Na]+ 190.06992 147.6
[M-H]- 166.07342 140.4
[M+NH4]+ 185.11452 150.0
[M+K]+ 206.04386 142.7
[M+H-H2O]+ 150.07796 129.9
[M+HCOO]- 212.07890 160.3
[M+CH3COO]- 226.09455 181.8
[M+Na-2H]- 188.05537 142.9
[M]+ 167.08015 136.4
[M]- 167.08125 136.4
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.