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 168.3
[M+Na]+ 315.15667 175.9
[M-H]- 291.16017 172.1
[M+NH4]+ 310.20127 184.7
[M+K]+ 331.13061 174.2
[M+H-H2O]+ 275.16471 162.3
[M+HCOO]- 337.16565 189.0
[M+CH3COO]- 351.18130 205.2
[M+Na-2H]- 313.14212 170.2
[M]+ 292.16690 175.6
[M]- 292.16800 175.6
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.