CID 4991867

1-(2-methoxy-5-methylphenyl)ethanone

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

164.08372 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.09100 133.5
[M+Na]+ 187.07294 146.9
[M+NH4]+ 182.11754 142.1
[M+K]+ 203.04688 140.7
[M-H]- 163.07644 135.6
[M+Na-2H]- 185.05839 140.3
[M]+ 164.08317 136.0
[M]- 164.08427 136.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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