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

8
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 132.9
[M+Na]+ 167.08312 132.9
[M+NH4]+ 162.12772 133.8
[M+K]+ 183.05706 130.5
[M-H]- 143.08662 128.9
[M+Na-2H]- 165.06857 132.9
[M]+ 144.09335 129.3
[M]- 144.09445 129.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe