CID 347969

1-(2-methoxyphenyl)propan-1-one

Structural Information

Molecular Formula
C10H12O2
SMILES
CCC(=O)C1=CC=CC=C1OC
InChI
InChI=1S/C10H12O2/c1-3-9(11)8-6-4-5-7-10(8)12-2/h4-7H,3H2,1-2H3
InChIKey
LEAJWPFHMHVEKV-UHFFFAOYSA-N
Compound name
1-(2-methoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

292
Patents

164.08372 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.090996 133.0
[M+Na]+ 187.072938 141.0
[M-H]- 163.076444 137.0
[M+NH4]+ 182.117543 153.9
[M+K]+ 203.046878 139.9
[M+H-H2O]+ 147.080980 127.5
[M+HCOO]- 209.081921 157.0
[M+CH3COO]- 223.097571 179.5
[M+Na-2H]- 185.058386 138.9
[M]+ 164.08317142 135.3
[M]- 164.08426858 135.3
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