CID 9898899

N-(2,2-dimethoxyethyl)prop-2-enamide

Structural Information

Molecular Formula
C7H13NO3
SMILES
COC(CNC(=O)C=C)OC
InChI
InChI=1S/C7H13NO3/c1-4-6(9)8-5-7(10-2)11-3/h4,7H,1,5H2,2-3H3,(H,8,9)
InChIKey
CMMYGCUEJWTBCG-UHFFFAOYSA-N
Compound name
N-(2,2-dimethoxyethyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

535
Patents

159.08954 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.096816 134.4
[M+Na]+ 182.078758 140.5
[M-H]- 158.082264 134.6
[M+NH4]+ 177.123363 154.9
[M+K]+ 198.052698 141.1
[M+H-H2O]+ 142.086800 129.2
[M+HCOO]- 204.087741 158.0
[M+CH3COO]- 218.103391 180.2
[M+Na-2H]- 180.064206 138.7
[M]+ 159.08899142 136.8
[M]- 159.09008858 136.8
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