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]+ 201.08699 140.1
[M+Na]+ 223.06893 148.9
[M-H]- 199.07243 138.8
[M+NH4]+ 218.11353 159.3
[M+K]+ 239.04287 147.0
[M+H-H2O]+ 183.07697 135.4
[M+HCOO]- 245.07791 157.6
[M+CH3COO]- 259.09356 179.1
[M+Na-2H]- 221.05438 141.9
[M]+ 200.07916 139.3
[M]- 200.08026 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.