CID 6446802

Brn 1318303

Structural Information

Molecular Formula
C16H20O3
SMILES
C1CCC(CC1)C(/C=C/C2=CC3=C(C=C2)OCO3)O
InChI
InChI=1S/C16H20O3/c17-14(13-4-2-1-3-5-13)8-6-12-7-9-15-16(10-12)19-11-18-15/h6-10,13-14,17H,1-5,11H2/b8-6+
InChIKey
FEBSUECCSVLRLO-SOFGYWHQSA-N
Compound name
(E)-3-(1,3-benzodioxol-5-yl)-1-cyclohexylprop-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.14124 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.14852 161.1
[M+Na]+ 283.13046 171.8
[M+NH4]+ 278.17506 169.6
[M+K]+ 299.10440 167.6
[M-H]- 259.13396 166.9
[M+Na-2H]- 281.11591 164.6
[M]+ 260.14069 164.1
[M]- 260.14179 164.1
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.