CID 12572713

Methyl (methylcarbamoyl)formate

Structural Information

Molecular Formula
C4H7NO3
SMILES
CNC(=O)C(=O)OC
InChI
InChI=1S/C4H7NO3/c1-5-3(6)4(7)8-2/h1-2H3,(H,5,6)
InChIKey
BOUBGTOCRMNMLJ-UHFFFAOYSA-N
Compound name
methyl 2-(methylamino)-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

117.042595 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.04987 120.8
[M+Na]+ 140.03181 128.3
[M-H]- 116.03532 121.6
[M+NH4]+ 135.07642 143.1
[M+K]+ 156.00575 129.7
[M+H-H2O]+ 100.03986 116.2
[M+HCOO]- 162.04080 145.4
[M+CH3COO]- 176.05645 169.7
[M+Na-2H]- 138.01726 126.6
[M]+ 117.04205 121.9
[M]- 117.04314 121.9
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

patents stripe