CID 22555

2,2-diethoxyacetophenone

Structural Information

Molecular Formula
C12H16O3
SMILES
CCOC(C(=O)C1=CC=CC=C1)OCC
InChI
InChI=1S/C12H16O3/c1-3-14-12(15-4-2)11(13)10-8-6-5-7-9-10/h5-9,12H,3-4H2,1-2H3
InChIKey
PIZHFBODNLEQBL-UHFFFAOYSA-N
Compound name
2,2-diethoxy-1-phenylethanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

74295
Patents

208.10994 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.11722 146.8
[M+Na]+ 231.09916 152.6
[M-H]- 207.10266 150.0
[M+NH4]+ 226.14376 165.4
[M+K]+ 247.07310 151.9
[M+H-H2O]+ 191.10720 140.4
[M+HCOO]- 253.10814 169.3
[M+CH3COO]- 267.12379 187.2
[M+Na-2H]- 229.08461 150.9
[M]+ 208.10939 150.2
[M]- 208.11049 150.2
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