CID 6447000

2-piperonyliden-6-methyl-cyclohexanol [german]

Structural Information

Molecular Formula
C15H18O3
SMILES
CC1CCC/C(=C\C2=CC3=C(C=C2)OCO3)/C1O
InChI
InChI=1S/C15H18O3/c1-10-3-2-4-12(15(10)16)7-11-5-6-13-14(8-11)18-9-17-13/h5-8,10,15-16H,2-4,9H2,1H3/b12-7+
InChIKey
UEASEVUWQIOWIE-KPKJPENVSA-N
Compound name
(2E)-2-(1,3-benzodioxol-5-ylmethylidene)-6-methylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

246.1256 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.13288 155.7
[M+Na]+ 269.11482 167.7
[M+NH4]+ 264.15942 164.4
[M+K]+ 285.08876 163.3
[M-H]- 245.11832 161.8
[M+Na-2H]- 267.10027 159.3
[M]+ 246.12505 159.1
[M]- 246.12615 159.1
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

patents stripe