CID 578482

1-(2-ethoxyphenyl)ethanone

Structural Information

Molecular Formula
C10H12O2
SMILES
CCOC1=CC=CC=C1C(=O)C
InChI
InChI=1S/C10H12O2/c1-3-12-10-7-5-4-6-9(10)8(2)11/h4-7H,3H2,1-2H3
InChIKey
TVGMOUGXQYQZOL-UHFFFAOYSA-N
Compound name
1-(2-ethoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

530
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 133.0
[M+Na]+ 187.07294 141.0
[M-H]- 163.07644 137.0
[M+NH4]+ 182.11754 153.9
[M+K]+ 203.04688 139.9
[M+H-H2O]+ 147.08098 127.5
[M+HCOO]- 209.08192 157.0
[M+CH3COO]- 223.09757 179.5
[M+Na-2H]- 185.05839 138.9
[M]+ 164.08317 135.3
[M]- 164.08427 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