CID 21096

4-phenyl-1-cyclohexene

Structural Information

Molecular Formula
C12H14
SMILES
C1CC(CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C12H14/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-5,7-8,12H,6,9-10H2
InChIKey
XWCWNUSFQVJNDI-UHFFFAOYSA-N
Compound name
cyclohex-3-en-1-ylbenzene
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

11
References

554
Patents

158.10954 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.116816 133.2
[M+Na]+ 181.098758 138.7
[M-H]- 157.102264 139.2
[M+NH4]+ 176.143363 153.6
[M+K]+ 197.072698 135.7
[M+H-H2O]+ 141.106800 126.6
[M+HCOO]- 203.107741 155.5
[M+CH3COO]- 217.123391 146.4
[M+Na-2H]- 179.084206 140.5
[M]+ 158.10899142 128.7
[M]- 158.11008858 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

literature stripe

Patent stripe

patents stripe