CID 45496096

1206122-86-2

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]+ 197.103296 142.3
[M+Na]+ 219.085238 148.7
[M-H]- 195.088744 141.9
[M+NH4]+ 214.129843 158.3
[M+K]+ 235.059178 147.0
[M+H-H2O]+ 179.093280 133.2
[M+HCOO]- 241.094221 157.9
[M+CH3COO]- 255.109871 177.3
[M+Na-2H]- 217.070686 147.1
[M]+ 196.09547142 137.8
[M]- 196.09656858 137.8
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.