CID 324231

Sodium 3-(prop-2-enamido)propanoate

Structural Information

Molecular Formula
C6H9NO3
SMILES
C=CC(=O)NCCC(=O)O
InChI
InChI=1S/C6H9NO3/c1-2-5(8)7-4-3-6(9)10/h2H,1,3-4H2,(H,7,8)(H,9,10)
InChIKey
YVAQHFNMILVVNE-UHFFFAOYSA-N
Compound name
3-(prop-2-enoylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1537
Patents

143.05824 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.06552 129.0
[M+Na]+ 166.04746 135.4
[M-H]- 142.05096 128.0
[M+NH4]+ 161.09206 149.3
[M+K]+ 182.02140 134.6
[M+H-H2O]+ 126.05550 124.2
[M+HCOO]- 188.05644 151.6
[M+CH3COO]- 202.07209 173.6
[M+Na-2H]- 164.03291 133.2
[M]+ 143.05769 128.4
[M]- 143.05879 128.4
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