CID 243417

1,1-diethoxypropan-2-one

Structural Information

Molecular Formula
C7H14O3
SMILES
CCOC(C(=O)C)OCC
InChI
InChI=1S/C7H14O3/c1-4-9-7(6(3)8)10-5-2/h7H,4-5H2,1-3H3
InChIKey
SDMOBEHDSJVJHU-UHFFFAOYSA-N
Compound name
1,1-diethoxypropan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

114
Patents

146.0943 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.10158 131.3
[M+Na]+ 169.08352 137.9
[M-H]- 145.08702 131.6
[M+NH4]+ 164.12812 152.7
[M+K]+ 185.05746 139.2
[M+H-H2O]+ 129.09156 126.6
[M+HCOO]- 191.09250 153.7
[M+CH3COO]- 205.10815 176.9
[M+Na-2H]- 167.06897 135.4
[M]+ 146.09375 135.4
[M]- 146.09485 135.4
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