CID 273661

3-phenylcyclohexanone

Structural Information

Molecular Formula
C12H14O
SMILES
C1CC(CC(=O)C1)C2=CC=CC=C2
InChI
InChI=1S/C12H14O/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2
InChIKey
CJAUDSQXFVZPTO-UHFFFAOYSA-N
Compound name
3-phenylcyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

397
Patents

174.10446 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.11174 136.9
[M+Na]+ 197.09368 142.5
[M-H]- 173.09718 143.0
[M+NH4]+ 192.13828 156.7
[M+K]+ 213.06762 139.7
[M+H-H2O]+ 157.10172 130.3
[M+HCOO]- 219.10266 158.1
[M+CH3COO]- 233.11831 179.3
[M+Na-2H]- 195.07913 142.4
[M]+ 174.10391 132.1
[M]- 174.10501 132.1
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