CID 6446794

1-hexen-3-one, 5,5-dimethyl-1-(3,4,5-trimethoxyphenyl)-

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]+ 293.174726 168.3
[M+Na]+ 315.156668 175.9
[M-H]- 291.160174 172.1
[M+NH4]+ 310.201273 184.7
[M+K]+ 331.130608 174.2
[M+H-H2O]+ 275.164710 162.3
[M+HCOO]- 337.165651 189.0
[M+CH3COO]- 351.181301 205.2
[M+Na-2H]- 313.142116 170.2
[M]+ 292.16690142 175.6
[M]- 292.16799858 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.