CID 24806

1-(4-methoxy-3-methylphenyl)ethanone

Structural Information

Molecular Formula
C10H12O2
SMILES
CC1=C(C=CC(=C1)C(=O)C)OC
InChI
InChI=1S/C10H12O2/c1-7-6-9(8(2)11)4-5-10(7)12-3/h4-6H,1-3H3
InChIKey
SRPCRBVBOIYYHS-UHFFFAOYSA-N
Compound name
1-(4-methoxy-3-methylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

240
Patents

164.08372 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.09100 131.9
[M+Na]+ 187.07294 140.9
[M-H]- 163.07644 136.3
[M+NH4]+ 182.11754 153.2
[M+K]+ 203.04688 139.8
[M+H-H2O]+ 147.08098 126.7
[M+HCOO]- 209.08192 156.0
[M+CH3COO]- 223.09757 180.6
[M+Na-2H]- 185.05839 137.2
[M]+ 164.08317 134.6
[M]- 164.08427 134.6
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.