CID 6446802

66596-52-9

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]+ 261.148516 160.7
[M+Na]+ 283.130458 164.3
[M-H]- 259.133964 166.8
[M+NH4]+ 278.175063 176.2
[M+K]+ 299.104398 162.6
[M+H-H2O]+ 243.138500 154.3
[M+HCOO]- 305.139441 175.6
[M+CH3COO]- 319.155091 171.2
[M+Na-2H]- 281.115906 163.3
[M]+ 260.14069142 156.9
[M]- 260.14178858 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.