CID 5932268

1-penten-3-one, 1-(2,5-dimethoxyphenyl)-4,4-dimethyl-

Structural Information

Molecular Formula
C15H20O3
SMILES
CC(C)(C)C(=O)/C=C/C1=C(C=CC(=C1)OC)OC
InChI
InChI=1S/C15H20O3/c1-15(2,3)14(16)9-6-11-10-12(17-4)7-8-13(11)18-5/h6-10H,1-5H3/b9-6+
InChIKey
DSNCWEGRIPVGQD-RMKNXTFCSA-N
Compound name
(E)-1-(2,5-dimethoxyphenyl)-4,4-dimethylpent-1-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

248.14125 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.148526 156.9
[M+Na]+ 271.130468 164.5
[M-H]- 247.133974 160.8
[M+NH4]+ 266.175073 174.9
[M+K]+ 287.104408 162.6
[M+H-H2O]+ 231.138510 151.3
[M+HCOO]- 293.139451 178.1
[M+CH3COO]- 307.155101 195.9
[M+Na-2H]- 269.115916 160.4
[M]+ 248.14070142 161.6
[M]- 248.14179858 161.6
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

patents stripe