CID 8704

136-84-5

Structural Information

Molecular Formula

C₅H₁₀N₂O₃

SMILES

C1CN(C(=O)N1CO)CO

InChI

InChI=1S/C5H10N2O3/c8-3-6-1-2-7(4-9)5(6)10/h8-9H,1-4H2

InChIKey

WVJOGYWFVNTSAU-UHFFFAOYSA-N

Compound name

1,3-bis(hydroxymethyl)imidazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3401
Patents: 146.06914 Da
Monoisotopic Mass: -1.1
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]+	147.07642	129.1
[M+Na]+	169.05836	137.2
[M-H]-	145.06186	127.4
[M+NH4]+	164.10296	148.4
[M+K]+	185.03230	135.9
[M+H-H2O]+	129.06640	123.1
[M+HCOO]-	191.06734	147.9
[M+CH3COO]-	205.08299	167.8
[M+Na-2H]-	167.04381	132.6
[M]+	146.06859	127.0
[M]-	146.06969	127.0

Literature stripe

literature stripe

Patent stripe

patents stripe