CID 154878894

2470437-46-6

Structural Information

Molecular Formula
C6H9NO5
SMILES
COC(=O)CC(=O)NC(=O)OC
InChI
InChI=1S/C6H9NO5/c1-11-5(9)3-4(8)7-6(10)12-2/h3H2,1-2H3,(H,7,8,10)
InChIKey
VZRHBEPCALFDTQ-UHFFFAOYSA-N
Compound name
methyl 3-(methoxycarbonylamino)-3-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.04807 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.05535 135.8
[M+Na]+ 198.03729 142.9
[M+NH4]+ 193.08189 140.6
[M+K]+ 214.01123 141.2
[M-H]- 174.04079 132.6
[M+Na-2H]- 196.02274 136.8
[M]+ 175.04752 135.2
[M]- 175.04862 135.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.