CID 14840774

3,3-diethoxypropanamide

Structural Information

Molecular Formula
C7H15NO3
SMILES
CCOC(CC(=O)N)OCC
InChI
InChI=1S/C7H15NO3/c1-3-10-7(11-4-2)5-6(8)9/h7H,3-5H2,1-2H3,(H2,8,9)
InChIKey
MVRNDGSFTDOMJZ-UHFFFAOYSA-N
Compound name
3,3-diethoxypropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

161.1052 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.11248 136.3
[M+Na]+ 184.09442 141.9
[M-H]- 160.09792 135.8
[M+NH4]+ 179.13902 156.4
[M+K]+ 200.06836 142.8
[M+H-H2O]+ 144.10246 130.9
[M+HCOO]- 206.10340 159.0
[M+CH3COO]- 220.11905 181.1
[M+Na-2H]- 182.07987 139.4
[M]+ 161.10465 138.4
[M]- 161.10575 138.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe