CID 296927

Tricyclo[2.2.1.0,2,6]heptane-1-carboxylic acid

Structural Information

Molecular Formula
C8H10O2
SMILES
C1C2CC3C1C3(C2)C(=O)O
InChI
InChI=1S/C8H10O2/c9-7(10)8-3-4-1-5(8)6(8)2-4/h4-6H,1-3H2,(H,9,10)
InChIKey
GEWBSMIHSOBORP-UHFFFAOYSA-N
Compound name
tricyclo[2.2.1.02,6]heptane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

138.06808 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.075356 126.7
[M+Na]+ 161.057298 136.7
[M-H]- 137.060804 128.2
[M+NH4]+ 156.101903 153.5
[M+K]+ 177.031238 132.7
[M+H-H2O]+ 121.065340 125.0
[M+HCOO]- 183.066281 142.9
[M+CH3COO]- 197.081931 140.3
[M+Na-2H]- 159.042746 133.4
[M]+ 138.06753142 133.7
[M]- 138.06862858 133.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.