CID 82376285

Sodium 3-cyclopropyl-1h-1,2,4-triazole-5-carboxylate

Structural Information

Molecular Formula
C6H7N3O2
SMILES
C1CC1C2=NC(=NN2)C(=O)O
InChI
InChI=1S/C6H7N3O2/c10-6(11)5-7-4(8-9-5)3-1-2-3/h3H,1-2H2,(H,10,11)(H,7,8,9)
InChIKey
BQTSFWOGCOERRP-UHFFFAOYSA-N
Compound name
5-cyclopropyl-1H-1,2,4-triazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.05383 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.061106 136.6
[M+Na]+ 176.043048 147.2
[M-H]- 152.046554 138.0
[M+NH4]+ 171.087653 149.2
[M+K]+ 192.016988 142.7
[M+H-H2O]+ 136.051090 129.0
[M+HCOO]- 198.052031 156.0
[M+CH3COO]- 212.067681 173.0
[M+Na-2H]- 174.028496 140.7
[M]+ 153.05328142 136.8
[M]- 153.05437858 136.8
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.