CID 155893943

3-phenylbicyclo[1.1.1]pentan-1-ol

Structural Information

Molecular Formula
C11H12O
SMILES
C1C2(CC1(C2)O)C3=CC=CC=C3
InChI
InChI=1S/C11H12O/c12-11-6-10(7-11,8-11)9-4-2-1-3-5-9/h1-5,12H,6-8H2
InChIKey
FHSHWAPEPYLLRG-UHFFFAOYSA-N
Compound name
3-phenylbicyclo[1.1.1]pentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.08882 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.09610 146.5
[M+Na]+ 183.07804 151.8
[M-H]- 159.08154 151.6
[M+NH4]+ 178.12264 153.2
[M+K]+ 199.05198 156.0
[M+H-H2O]+ 143.08608 133.3
[M+HCOO]- 205.08702 160.1
[M+CH3COO]- 219.10267 204.6
[M+Na-2H]- 181.06349 154.8
[M]+ 160.08827 170.3
[M]- 160.08937 170.3
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.