CID 12550576

Methyl 3-carbamoylpropanoate

Structural Information

Molecular Formula
C5H9NO3
SMILES
COC(=O)CCC(=O)N
InChI
InChI=1S/C5H9NO3/c1-9-5(8)3-2-4(6)7/h2-3H2,1H3,(H2,6,7)
InChIKey
HURZMSZDVGMYKJ-UHFFFAOYSA-N
Compound name
methyl 4-amino-4-oxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

259
Patents

131.05824 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.06552 125.6
[M+Na]+ 154.04746 132.5
[M-H]- 130.05096 125.6
[M+NH4]+ 149.09206 146.9
[M+K]+ 170.02140 133.2
[M+H-H2O]+ 114.05550 120.7
[M+HCOO]- 176.05644 149.2
[M+CH3COO]- 190.07209 173.4
[M+Na-2H]- 152.03291 129.8
[M]+ 131.05769 126.2
[M]- 131.05879 126.2
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