CID 130124993

5-phenylbicyclo[2.2.1]heptan-2-ol

Structural Information

Molecular Formula
C13H16O
SMILES
C1C2CC(C1CC2O)C3=CC=CC=C3
InChI
InChI=1S/C13H16O/c14-13-8-10-6-11(13)7-12(10)9-4-2-1-3-5-9/h1-5,10-14H,6-8H2
InChIKey
OMPMFVKJXHMNPB-UHFFFAOYSA-N
Compound name
5-phenylbicyclo[2.2.1]heptan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.12012 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.127396 142.6
[M+Na]+ 211.109338 149.7
[M-H]- 187.112844 147.5
[M+NH4]+ 206.153943 166.9
[M+K]+ 227.083278 145.8
[M+H-H2O]+ 171.117380 137.9
[M+HCOO]- 233.118321 163.0
[M+CH3COO]- 247.133971 155.7
[M+Na-2H]- 209.094786 145.1
[M]+ 188.11957142 139.8
[M]- 188.12066858 139.8
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.