CID 6434565

58344-54-0

Structural Information

Molecular Formula
C15H18O3
SMILES
CC(C)(C)CC(=O)/C=C/C1=CC2=C(C=C1)OCO2
InChI
InChI=1S/C15H18O3/c1-15(2,3)9-12(16)6-4-11-5-7-13-14(8-11)18-10-17-13/h4-8H,9-10H2,1-3H3/b6-4+
InChIKey
LNGZEQJRNZOUHD-GQCTYLIASA-N
Compound name
(E)-1-(1,3-benzodioxol-5-yl)-5,5-dimethylhex-1-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.1256 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.13288 156.2
[M+Na]+ 269.11482 167.2
[M+NH4]+ 264.15942 163.7
[M+K]+ 285.08876 164.0
[M-H]- 245.11832 159.3
[M+Na-2H]- 267.10027 159.0
[M]+ 246.12505 158.6
[M]- 246.12615 158.6
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.