CID 73554627

1-(3,4-dimethoxy-2-methylphenyl)propan-2-one

Structural Information

Molecular Formula
C12H16O3
SMILES
CC1=C(C=CC(=C1OC)OC)CC(=O)C
InChI
InChI=1S/C12H16O3/c1-8(13)7-10-5-6-11(14-3)12(15-4)9(10)2/h5-6H,7H2,1-4H3
InChIKey
JWRKRPKCBXPHPO-UHFFFAOYSA-N
Compound name
1-(3,4-dimethoxy-2-methylphenyl)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.10994 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.11722 143.7
[M+Na]+ 231.09916 152.6
[M-H]- 207.10266 148.0
[M+NH4]+ 226.14376 163.4
[M+K]+ 247.07310 151.6
[M+H-H2O]+ 191.10720 138.0
[M+HCOO]- 253.10814 167.2
[M+CH3COO]- 267.12379 189.9
[M+Na-2H]- 229.08461 147.2
[M]+ 208.10939 149.0
[M]- 208.11049 149.0
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.