CID 122706625

1,6,8-trimethylallantoate

Structural Information

Molecular Formula
C7H14N4O4
SMILES
CNC(=O)NC(C(=O)O)N(C)C(=O)NC
InChI
InChI=1S/C7H14N4O4/c1-8-6(14)10-4(5(12)13)11(3)7(15)9-2/h4H,1-3H3,(H,9,15)(H,12,13)(H2,8,10,14)
InChIKey
GIXBMJJQTAYJBR-UHFFFAOYSA-N
Compound name
2-(methylcarbamoylamino)-2-[methyl(methylcarbamoyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

218.1015 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.10878 148.8
[M+Na]+ 241.09072 151.8
[M-H]- 217.09422 149.1
[M+NH4]+ 236.13532 165.4
[M+K]+ 257.06466 154.3
[M+H-H2O]+ 201.09876 141.7
[M+HCOO]- 263.09970 172.7
[M+CH3COO]- 277.11535 198.1
[M+Na-2H]- 239.07617 149.8
[M]+ 218.10095 147.0
[M]- 218.10205 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

No patent data available for this compound.