CID 22364021

2-(n-ethylprop-2-enamido)acetic acid

Structural Information

Molecular Formula
C7H11NO3
SMILES
CCN(CC(=O)O)C(=O)C=C
InChI
InChI=1S/C7H11NO3/c1-3-6(9)8(4-2)5-7(10)11/h3H,1,4-5H2,2H3,(H,10,11)
InChIKey
NQAYDNHKIKCYNL-UHFFFAOYSA-N
Compound name
2-[ethyl(prop-2-enoyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

157.0739 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.081176 133.0
[M+Na]+ 180.063118 139.2
[M-H]- 156.066624 133.4
[M+NH4]+ 175.107723 153.4
[M+K]+ 196.037058 139.6
[M+H-H2O]+ 140.071160 128.0
[M+HCOO]- 202.072101 155.9
[M+CH3COO]- 216.087751 180.1
[M+Na-2H]- 178.048566 136.0
[M]+ 157.07335142 134.1
[M]- 157.07444858 134.1
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