CID 79006640

2-(3-methyl-2,4-dioxoimidazolidin-1-yl)acetic acid

Structural Information

Molecular Formula
C6H8N2O4
SMILES
CN1C(=O)CN(C1=O)CC(=O)O
InChI
InChI=1S/C6H8N2O4/c1-7-4(9)2-8(6(7)12)3-5(10)11/h2-3H2,1H3,(H,10,11)
InChIKey
BORNPNOFKCUJOK-UHFFFAOYSA-N
Compound name
2-(3-methyl-2,4-dioxoimidazolidin-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

172.0484 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.055676 132.0
[M+Na]+ 195.037618 141.3
[M-H]- 171.041124 132.2
[M+NH4]+ 190.082223 151.0
[M+K]+ 211.011558 140.4
[M+H-H2O]+ 155.045660 126.2
[M+HCOO]- 217.046601 151.7
[M+CH3COO]- 231.062251 175.9
[M+Na-2H]- 193.023066 133.9
[M]+ 172.04785142 132.0
[M]- 172.04894858 132.0
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