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 160.7
[M+Na]+ 283.13046 164.3
[M-H]- 259.13396 166.8
[M+NH4]+ 278.17506 176.2
[M+K]+ 299.10440 162.6
[M+H-H2O]+ 243.13850 154.3
[M+HCOO]- 305.13944 175.6
[M+CH3COO]- 319.15509 171.2
[M+Na-2H]- 281.11591 163.3
[M]+ 260.14069 156.9
[M]- 260.14179 156.9
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.