CID 6434568

6-methyl-1-(3,4-methylenedioxyphenyl)-1-hepten-3-ol

Structural Information

Molecular Formula
C15H20O3
SMILES
CC(C)CCC(/C=C/C1=CC2=C(C=C1)OCO2)O
InChI
InChI=1S/C15H20O3/c1-11(2)3-6-13(16)7-4-12-5-8-14-15(9-12)18-10-17-14/h4-5,7-9,11,13,16H,3,6,10H2,1-2H3/b7-4+
InChIKey
VBOSRISGGUVSCI-QPJJXVBHSA-N
Compound name
(E)-1-(1,3-benzodioxol-5-yl)-6-methylhept-1-en-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.14125 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.14853 160.7
[M+Na]+ 271.13047 166.2
[M-H]- 247.13397 164.4
[M+NH4]+ 266.17507 177.5
[M+K]+ 287.10441 165.3
[M+H-H2O]+ 231.13851 155.2
[M+HCOO]- 293.13945 177.9
[M+CH3COO]- 307.15510 192.2
[M+Na-2H]- 269.11592 163.4
[M]+ 248.14070 162.8
[M]- 248.14180 162.8
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.