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

8
Annotation Hits: 25
References: 30714
Patents: 188.07971 Da
Monoisotopic Mass: -0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	189.08699	140.1
[M+Na]+	211.06893	148.7
[M+NH4]+	206.11353	146.3
[M+K]+	227.04287	146.0
[M-H]-	187.07243	137.0
[M+Na-2H]-	209.05438	142.0
[M]+	188.07916	140.0
[M]-	188.08026	140.0

Literature stripe

literature stripe

Patent stripe

patents stripe