CID 20160622

1-[4-methoxy-3-(propan-2-yloxy)phenyl]ethan-1-one

Structural Information

Molecular Formula
C12H16O3
SMILES
CC(C)OC1=C(C=CC(=C1)C(=O)C)OC
InChI
InChI=1S/C12H16O3/c1-8(2)15-12-7-10(9(3)13)5-6-11(12)14-4/h5-8H,1-4H3
InChIKey
PDTUUOTWDJKLSZ-UHFFFAOYSA-N
Compound name
1-(4-methoxy-3-propan-2-yloxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

208.10994 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.117216 144.6
[M+Na]+ 231.099158 152.3
[M-H]- 207.102664 148.6
[M+NH4]+ 226.143763 163.9
[M+K]+ 247.073098 151.8
[M+H-H2O]+ 191.107200 138.8
[M+HCOO]- 253.108141 167.1
[M+CH3COO]- 267.123791 189.6
[M+Na-2H]- 229.084606 147.5
[M]+ 208.10939142 148.9
[M]- 208.11048858 148.9
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