CID 69727

4-(1-cyclohexen-1-yl)phenol

Structural Information

Molecular Formula
C12H14O
SMILES
C1CCC(=CC1)C2=CC=C(C=C2)O
InChI
InChI=1S/C12H14O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h4,6-9,13H,1-3,5H2
InChIKey
YGEZIEXHMBTZMT-UHFFFAOYSA-N
Compound name
4-(cyclohexen-1-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

149
Patents

174.10446 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.111736 136.9
[M+Na]+ 197.093678 142.9
[M-H]- 173.097184 142.0
[M+NH4]+ 192.138283 156.3
[M+K]+ 213.067618 139.6
[M+H-H2O]+ 157.101720 130.6
[M+HCOO]- 219.102661 157.9
[M+CH3COO]- 233.118311 177.2
[M+Na-2H]- 195.079126 143.0
[M]+ 174.10391142 132.4
[M]- 174.10500858 132.4
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