CID 3860988

858207-10-0

Structural Information

Molecular Formula
C8H12N2O4
SMILES
CCC1(C(=O)N(C(=O)N1)CC(=O)O)C
InChI
InChI=1S/C8H12N2O4/c1-3-8(2)6(13)10(4-5(11)12)7(14)9-8/h3-4H2,1-2H3,(H,9,14)(H,11,12)
InChIKey
XXYIIPIBFCYMDU-UHFFFAOYSA-N
Compound name
2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.07971 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.086986 140.1
[M+Na]+ 223.068928 148.9
[M-H]- 199.072434 138.8
[M+NH4]+ 218.113533 159.3
[M+K]+ 239.042868 147.0
[M+H-H2O]+ 183.076970 135.4
[M+HCOO]- 245.077911 157.6
[M+CH3COO]- 259.093561 179.1
[M+Na-2H]- 221.054376 141.9
[M]+ 200.07916142 139.3
[M]- 200.08025858 139.3
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.