CID 6446794

Brn 2277869

Structural Information

Molecular Formula
C17H24O4
SMILES
CC(C)(C)CC(=O)/C=C/C1=CC(=C(C(=C1)OC)OC)OC
InChI
InChI=1S/C17H24O4/c1-17(2,3)11-13(18)8-7-12-9-14(19-4)16(21-6)15(10-12)20-5/h7-10H,11H2,1-6H3/b8-7+
InChIKey
HAUHNSCGQOMUHQ-BQYQJAHWSA-N
Compound name
(E)-5,5-dimethyl-1-(3,4,5-trimethoxyphenyl)hex-1-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.16745 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.17473 169.6
[M+Na]+ 315.15667 180.6
[M+NH4]+ 310.20127 175.3
[M+K]+ 331.13061 175.3
[M-H]- 291.16017 169.5
[M+Na-2H]- 313.14212 173.2
[M]+ 292.16690 171.0
[M]- 292.16800 171.0
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.