CID 6447013

Cyclohexanol, 2-(1,3-benzodioxol-5-ylmethylene)-4-methyl-

Structural Information

Molecular Formula
C15H18O3
SMILES
CC1CCC(/C(=C/C2=CC3=C(C=C2)OCO3)/C1)O
InChI
InChI=1S/C15H18O3/c1-10-2-4-13(16)12(6-10)7-11-3-5-14-15(8-11)18-9-17-14/h3,5,7-8,10,13,16H,2,4,6,9H2,1H3/b12-7+
InChIKey
ZADPHPVAHZNMMR-KPKJPENVSA-N
Compound name
(2E)-2-(1,3-benzodioxol-5-ylmethylidene)-4-methylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.1256 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.132876 155.6
[M+Na]+ 269.114818 162.0
[M-H]- 245.118324 162.7
[M+NH4]+ 264.159423 172.6
[M+K]+ 285.088758 160.1
[M+H-H2O]+ 229.122860 149.9
[M+HCOO]- 291.123801 172.0
[M+CH3COO]- 305.139451 167.5
[M+Na-2H]- 267.100266 158.7
[M]+ 246.12505142 153.1
[M]- 246.12614858 153.1
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.