CID 13043

1-phenyl-1-cyclohexene

Structural Information

Molecular Formula
C12H14
SMILES
C1CCC(=CC1)C2=CC=CC=C2
InChI
InChI=1S/C12H14/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-9H,2,5-6,10H2
InChIKey
WCMSFBRREKZZFL-UHFFFAOYSA-N
Compound name
cyclohexen-1-ylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

19
References

2060
Patents

158.10954 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.11682 133.2
[M+Na]+ 181.09876 138.7
[M-H]- 157.10226 139.2
[M+NH4]+ 176.14336 153.6
[M+K]+ 197.07270 135.7
[M+H-H2O]+ 141.10680 126.6
[M+HCOO]- 203.10774 155.5
[M+CH3COO]- 217.12339 146.4
[M+Na-2H]- 179.08421 140.5
[M]+ 158.10899 128.7
[M]- 158.11009 128.7
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.