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]+ 168.087976 138.0
[M+Na]+ 190.069918 147.6
[M-H]- 166.073424 140.4
[M+NH4]+ 185.114523 150.0
[M+K]+ 206.043858 142.7
[M+H-H2O]+ 150.077960 129.9
[M+HCOO]- 212.078901 160.3
[M+CH3COO]- 226.094551 181.8
[M+Na-2H]- 188.055366 142.9
[M]+ 167.08015142 136.4
[M]- 167.08124858 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.