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]+ 209.11722 144.6
[M+Na]+ 231.09916 152.3
[M-H]- 207.10266 148.6
[M+NH4]+ 226.14376 163.9
[M+K]+ 247.07310 151.8
[M+H-H2O]+ 191.10720 138.8
[M+HCOO]- 253.10814 167.1
[M+CH3COO]- 267.12379 189.6
[M+Na-2H]- 229.08461 147.5
[M]+ 208.10939 148.9
[M]- 208.11049 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