CID 122235351

4-(bicyclo[1.1.1]pentan-1-yl)phenol

Structural Information

Molecular Formula
C11H12O
SMILES
C1C2CC1(C2)C3=CC=C(C=C3)O
InChI
InChI=1S/C11H12O/c12-10-3-1-9(2-4-10)11-5-8(6-11)7-11/h1-4,8,12H,5-7H2
InChIKey
CWEMDMRHGJZJIR-UHFFFAOYSA-N
Compound name
4-(1-bicyclo[1.1.1]pentanyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

160.08882 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.096096 141.8
[M+Na]+ 183.078038 146.8
[M-H]- 159.081544 146.7
[M+NH4]+ 178.122643 147.1
[M+K]+ 199.051978 151.6
[M+H-H2O]+ 143.086080 127.6
[M+HCOO]- 205.087021 155.4
[M+CH3COO]- 219.102671 205.6
[M+Na-2H]- 181.063486 149.3
[M]+ 160.08827142 165.7
[M]- 160.08936858 165.7
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

patents stripe