CID 88959576

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

Structural Information

Molecular Formula
C11H12O
SMILES
C1C2CC1(C2)C3=CC=CC=C3O
InChI
InChI=1S/C11H12O/c12-10-4-2-1-3-9(10)11-5-8(6-11)7-11/h1-4,8,12H,5-7H2
InChIKey
BXQMESVUGPOOLQ-UHFFFAOYSA-N
Compound name
2-(1-bicyclo[1.1.1]pentanyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

160.08882 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.09610 141.8
[M+Na]+ 183.07804 146.8
[M-H]- 159.08154 146.7
[M+NH4]+ 178.12264 147.1
[M+K]+ 199.05198 151.6
[M+H-H2O]+ 143.08608 127.6
[M+HCOO]- 205.08702 155.4
[M+CH3COO]- 219.10267 205.6
[M+Na-2H]- 181.06349 149.3
[M]+ 160.08827 165.7
[M]- 160.08937 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