CID 44151790

93963-31-6

Structural Information

Molecular Formula
C14H16O2
SMILES
C1CC2CC1CC2(C3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C14H16O2/c15-13(16)14(11-4-2-1-3-5-11)9-10-6-7-12(14)8-10/h1-5,10,12H,6-9H2,(H,15,16)
InChIKey
FODOCVXEWGKNJA-UHFFFAOYSA-N
Compound name
2-phenylbicyclo[2.2.1]heptane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

216.11504 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.12232 151.2
[M+Na]+ 239.10426 157.8
[M-H]- 215.10776 156.0
[M+NH4]+ 234.14886 175.9
[M+K]+ 255.07820 154.0
[M+H-H2O]+ 199.11230 146.5
[M+HCOO]- 261.11324 170.6
[M+CH3COO]- 275.12889 163.6
[M+Na-2H]- 237.08971 153.7
[M]+ 216.11449 148.7
[M]- 216.11559 148.7
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

patents stripe