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

13
Patents

153.05383 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.06111 137.4
[M+Na]+ 176.04305 148.4
[M-H]- 152.04655 140.1
[M+NH4]+ 171.08765 150.7
[M+K]+ 192.01699 144.8
[M+H-H2O]+ 136.05109 129.5
[M+HCOO]- 198.05203 158.2
[M+CH3COO]- 212.06768 175.4
[M+Na-2H]- 174.02850 141.8
[M]+ 153.05328 139.4
[M]- 153.05438 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