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]+ 176.055346 133.8
[M+Na]+ 198.037288 140.5
[M-H]- 174.040794 134.4
[M+NH4]+ 193.081893 153.6
[M+K]+ 214.011228 142.2
[M+H-H2O]+ 158.045330 128.5
[M+HCOO]- 220.046271 157.5
[M+CH3COO]- 234.061921 179.3
[M+Na-2H]- 196.022736 137.5
[M]+ 175.04752142 137.2
[M]- 175.04861858 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.