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]+ 139.07536 126.7
[M+Na]+ 161.05730 136.7
[M-H]- 137.06080 128.2
[M+NH4]+ 156.10190 153.5
[M+K]+ 177.03124 132.7
[M+H-H2O]+ 121.06534 125.0
[M+HCOO]- 183.06628 142.9
[M+CH3COO]- 197.08193 140.3
[M+Na-2H]- 159.04275 133.4
[M]+ 138.06753 133.7
[M]- 138.06863 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.