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

88
Patents

157.0739 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.08118 133.2
[M+Na]+ 180.06312 139.5
[M-H]- 156.06662 133.6
[M+NH4]+ 175.10772 153.7
[M+K]+ 196.03706 139.9
[M+H-H2O]+ 140.07116 128.2
[M+HCOO]- 202.07210 156.1
[M+CH3COO]- 216.08775 179.5
[M+Na-2H]- 178.04857 136.2
[M]+ 157.07335 134.2
[M]- 157.07445 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