CID 12642261

Ethyl 2-acetamidoprop-2-enoate

Structural Information

Molecular Formula
C7H11NO3
SMILES
CCOC(=O)C(=C)NC(=O)C
InChI
InChI=1S/C7H11NO3/c1-4-11-7(10)5(2)8-6(3)9/h2,4H2,1,3H3,(H,8,9)
InChIKey
AJTPFZSLRYHOCT-UHFFFAOYSA-N
Compound name
ethyl 2-acetamidoprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

157.0739 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.081176 133.2
[M+Na]+ 180.063118 139.5
[M-H]- 156.066624 133.6
[M+NH4]+ 175.107723 153.7
[M+K]+ 196.037058 139.9
[M+H-H2O]+ 140.071160 128.2
[M+HCOO]- 202.072101 156.1
[M+CH3COO]- 216.087751 179.5
[M+Na-2H]- 178.048566 136.2
[M]+ 157.07335142 134.2
[M]- 157.07444858 134.2
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