CID 10606871

1-phenylbicyclo[1.1.1]pentane

Structural Information

Molecular Formula
C11H12
SMILES
C1C2CC1(C2)C3=CC=CC=C3
InChI
InChI=1S/C11H12/c1-2-4-10(5-3-1)11-6-9(7-11)8-11/h1-5,9H,6-8H2
InChIKey
QEWRLQJVHCDTOM-UHFFFAOYSA-N
Compound name
1-phenylbicyclo[1.1.1]pentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

144.0939 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.10118 135.8
[M+Na]+ 167.08312 141.0
[M-H]- 143.08662 141.6
[M+NH4]+ 162.12772 142.1
[M+K]+ 183.05706 145.8
[M+H-H2O]+ 127.09116 121.7
[M+HCOO]- 189.09210 150.6
[M+CH3COO]- 203.10775 205.3
[M+Na-2H]- 165.06857 144.6
[M]+ 144.09335 159.7
[M]- 144.09445 159.7
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

No patent data available for this compound.