CID 3162839

956355-40-1

Structural Information

Molecular Formula
C9H12N2O4
SMILES
CC1(C(=O)N(C(=O)N1)CC(=O)O)C2CC2
InChI
InChI=1S/C9H12N2O4/c1-9(5-2-3-5)7(14)11(4-6(12)13)8(15)10-9/h5H,2-4H2,1H3,(H,10,15)(H,12,13)
InChIKey
TVQQMCMNFNVIIE-UHFFFAOYSA-N
Compound name
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.07971 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.08699 149.1
[M+Na]+ 235.06893 159.2
[M-H]- 211.07243 151.8
[M+NH4]+ 230.11353 162.7
[M+K]+ 251.04287 155.1
[M+H-H2O]+ 195.07697 144.0
[M+HCOO]- 257.07791 166.0
[M+CH3COO]- 271.09356 184.0
[M+Na-2H]- 233.05438 150.2
[M]+ 212.07916 150.1
[M]- 212.08026 150.1
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.