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]+ 189.12740 142.6
[M+Na]+ 211.10934 149.7
[M-H]- 187.11284 147.5
[M+NH4]+ 206.15394 166.9
[M+K]+ 227.08328 145.8
[M+H-H2O]+ 171.11738 137.9
[M+HCOO]- 233.11832 163.0
[M+CH3COO]- 247.13397 155.7
[M+Na-2H]- 209.09479 145.1
[M]+ 188.11957 139.8
[M]- 188.12067 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.