CID 3053229

69629-21-6

Structural Information

Molecular Formula
C14H18O2
SMILES
C1CC(C=C(C1)C2=CC=C(C=C2)CCO)O
InChI
InChI=1S/C14H18O2/c15-9-8-11-4-6-12(7-5-11)13-2-1-3-14(16)10-13/h4-7,10,14-16H,1-3,8-9H2
InChIKey
YRTJDFIGZGHQFZ-UHFFFAOYSA-N
Compound name
3-[4-(2-hydroxyethyl)phenyl]cyclohex-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.13068 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.13796 149.7
[M+Na]+ 241.11990 155.2
[M-H]- 217.12340 153.3
[M+NH4]+ 236.16450 166.8
[M+K]+ 257.09384 151.1
[M+H-H2O]+ 201.12794 143.2
[M+HCOO]- 263.12888 168.7
[M+CH3COO]- 277.14453 183.9
[M+Na-2H]- 239.10535 153.5
[M]+ 218.13013 145.9
[M]- 218.13123 145.9
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.