CID 53621488

1-cyclohexyl-1h-1,2,3-triazole-4-carboxylic acid

Structural Information

Molecular Formula
C9H13N3O2
SMILES
C1CCC(CC1)N2C=C(N=N2)C(=O)O
InChI
InChI=1S/C9H13N3O2/c13-9(14)8-6-12(11-10-8)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,13,14)
InChIKey
OHQZQJMGYRDNTQ-UHFFFAOYSA-N
Compound name
1-cyclohexyltriazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.10077 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.10805 142.9
[M+Na]+ 218.08999 148.8
[M-H]- 194.09349 143.7
[M+NH4]+ 213.13459 158.7
[M+K]+ 234.06393 146.7
[M+H-H2O]+ 178.09803 134.2
[M+HCOO]- 240.09897 159.5
[M+CH3COO]- 254.11462 178.9
[M+Na-2H]- 216.07544 145.5
[M]+ 195.10022 138.3
[M]- 195.10132 138.3
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.