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]+ 197.10330 142.3
[M+Na]+ 219.08524 148.7
[M-H]- 195.08874 141.9
[M+NH4]+ 214.12984 158.3
[M+K]+ 235.05918 147.0
[M+H-H2O]+ 179.09328 133.2
[M+HCOO]- 241.09422 157.9
[M+CH3COO]- 255.10987 177.3
[M+Na-2H]- 217.07069 147.1
[M]+ 196.09547 137.8
[M]- 196.09657 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.