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 133.8
[M+Na]+ 198.03729 140.5
[M-H]- 174.04079 134.4
[M+NH4]+ 193.08189 153.6
[M+K]+ 214.01123 142.2
[M+H-H2O]+ 158.04533 128.5
[M+HCOO]- 220.04627 157.5
[M+CH3COO]- 234.06192 179.3
[M+Na-2H]- 196.02274 137.5
[M]+ 175.04752 137.2
[M]- 175.04862 137.2
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.