CID 105429841

1-cyclopropyl-1h-1,2,3-triazole-5-carboxylic acid

Structural Information

Molecular Formula
C6H7N3O2
SMILES
C1CC1N2C(=CN=N2)C(=O)O
InChI
InChI=1S/C6H7N3O2/c10-6(11)5-3-7-8-9(5)4-1-2-4/h3-4H,1-2H2,(H,10,11)
InChIKey
UPAHYDCUFANRHS-UHFFFAOYSA-N
Compound name
3-cyclopropyltriazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

153.05383 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.061106 137.4
[M+Na]+ 176.043048 148.4
[M-H]- 152.046554 140.1
[M+NH4]+ 171.087653 150.7
[M+K]+ 192.016988 144.8
[M+H-H2O]+ 136.051090 129.5
[M+HCOO]- 198.052031 158.2
[M+CH3COO]- 212.067681 175.4
[M+Na-2H]- 174.028496 141.8
[M]+ 153.05328142 139.4
[M]- 153.05437858 139.4
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

patents stripe