CID 45496096

1-(1h-tetrazol-1-yl)cyclohexanecarboxylic acid

Structural Information

Molecular Formula
C8H12N4O2
SMILES
C1CCC(CC1)(C(=O)O)N2C=NN=N2
InChI
InChI=1S/C8H12N4O2/c13-7(14)8(4-2-1-3-5-8)12-6-9-10-11-12/h6H,1-5H2,(H,13,14)
InChIKey
SRMRVJLGPHYGDL-UHFFFAOYSA-N
Compound name
1-(tetrazol-1-yl)cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.09602 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.10330 143.1
[M+Na]+ 219.08524 152.8
[M+NH4]+ 214.12984 150.4
[M+K]+ 235.05918 148.9
[M-H]- 195.08874 142.4
[M+Na-2H]- 217.07069 149.5
[M]+ 196.09547 144.0
[M]- 196.09657 144.0
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.