CID 5323867

1-(4-methoxy-2-methylphenyl)ethan-1-one

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

164.08372 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.090996 131.9
[M+Na]+ 187.072938 140.9
[M-H]- 163.076444 136.3
[M+NH4]+ 182.117543 153.2
[M+K]+ 203.046878 139.8
[M+H-H2O]+ 147.080980 126.7
[M+HCOO]- 209.081921 156.0
[M+CH3COO]- 223.097571 180.6
[M+Na-2H]- 185.058386 137.2
[M]+ 164.08317142 134.6
[M]- 164.08426858 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

literature stripe

Patent stripe

patents stripe