CID 22947

6440-58-0

Structural Information

Molecular Formula
C7H12N2O4
SMILES
CC1(C(=O)N(C(=O)N1CO)CO)C
InChI
InChI=1S/C7H12N2O4/c1-7(2)5(12)8(3-10)6(13)9(7)4-11/h10-11H,3-4H2,1-2H3
InChIKey
WSDISUOETYTPRL-UHFFFAOYSA-N
Compound name
1,3-bis(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

25
References

31721
Patents

188.07971 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.08699 136.0
[M+Na]+ 211.06893 146.2
[M-H]- 187.07243 135.2
[M+NH4]+ 206.11353 156.2
[M+K]+ 227.04287 144.5
[M+H-H2O]+ 171.07697 131.6
[M+HCOO]- 233.07791 154.7
[M+CH3COO]- 247.09356 177.3
[M+Na-2H]- 209.05438 138.9
[M]+ 188.07916 136.6
[M]- 188.08026 136.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe