CID 3064881

5-methyloxaluric acid butyl ester

Structural Information

Molecular Formula
C8H14N2O4
SMILES
CCCCOC(=O)C(=O)NC(=O)NC
InChI
InChI=1S/C8H14N2O4/c1-3-4-5-14-7(12)6(11)10-8(13)9-2/h3-5H2,1-2H3,(H2,9,10,11,13)
InChIKey
BEGVEPJFXNZISV-UHFFFAOYSA-N
Compound name
butyl 2-(methylcarbamoylamino)-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

202.09535 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.102626 145.3
[M+Na]+ 225.084568 150.3
[M-H]- 201.088074 145.5
[M+NH4]+ 220.129173 163.8
[M+K]+ 241.058508 151.1
[M+H-H2O]+ 185.092610 139.3
[M+HCOO]- 247.093551 169.1
[M+CH3COO]- 261.109201 187.7
[M+Na-2H]- 223.070016 148.0
[M]+ 202.09480142 147.0
[M]- 202.09589858 147.0
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