CID 97944

931-40-8

Structural Information

Molecular Formula

C₄H₆O₄

SMILES

C1C(OC(=O)O1)CO

InChI

InChI=1S/C4H6O4/c5-1-3-2-7-4(6)8-3/h3,5H,1-2H2

InChIKey

JFMGYULNQJPJCY-UHFFFAOYSA-N

Compound name

4-(hydroxymethyl)-1,3-dioxolan-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 11181
Patents: 118.02661 Da
Monoisotopic Mass: -1.5
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]+	119.033886	117.6
[M+Na]+	141.015828	125.7
[M-H]-	117.019334	121.3
[M+NH4]+	136.060433	138.5
[M+K]+	156.989768	127.8
[M+H-H2O]+	101.023870	113.6
[M+HCOO]-	163.024811	139.3
[M+CH3COO]-	177.040461	162.9
[M+Na-2H]-	139.001276	125.2
[M]+	118.02606142	118.3
[M]-	118.02715858	118.3

Literature stripe

literature stripe

Patent stripe

patents stripe