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

86
Patents

117.042595 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.049871 120.8
[M+Na]+ 140.031813 128.3
[M-H]- 116.035319 121.6
[M+NH4]+ 135.076418 143.1
[M+K]+ 156.005753 129.7
[M+H-H2O]+ 100.039855 116.2
[M+HCOO]- 162.040796 145.4
[M+CH3COO]- 176.056446 169.7
[M+Na-2H]- 138.017261 126.6
[M]+ 117.04204642 121.9
[M]- 117.04314358 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