CID 145874726

2375248-61-4

Structural Information

Molecular Formula
C13H14O
SMILES
C1[C@H]2C[C@@H]([C@@H]1CC2=O)C3=CC=CC=C3
InChI
InChI=1S/C13H14O/c14-13-8-10-6-11(13)7-12(10)9-4-2-1-3-5-9/h1-5,10-12H,6-8H2/t10-,11-,12+/m0/s1
InChIKey
XOHWKOXIHVCUJO-SDDRHHMPSA-N
Compound name
(1S,4S,5S)-5-phenylbicyclo[2.2.1]heptan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.10446 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.11174 141.0
[M+Na]+ 209.09368 152.5
[M+NH4]+ 204.13828 151.6
[M+K]+ 225.06762 148.5
[M-H]- 185.09718 144.4
[M+Na-2H]- 207.07913 145.8
[M]+ 186.10391 143.5
[M]- 186.10501 143.5
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.