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 155.6
[M+Na]+ 269.11482 162.0
[M-H]- 245.11832 162.7
[M+NH4]+ 264.15942 172.6
[M+K]+ 285.08876 160.1
[M+H-H2O]+ 229.12286 149.9
[M+HCOO]- 291.12380 172.0
[M+CH3COO]- 305.13945 167.5
[M+Na-2H]- 267.10027 158.7
[M]+ 246.12505 153.1
[M]- 246.12615 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

patents stripe