CID 7924

Propylene carbonate

Structural Information

Molecular Formula

C₄H₆O₃

SMILES

CC1COC(=O)O1

InChI

InChI=1S/C4H6O3/c1-3-2-6-4(5)7-3/h3H,2H2,1H3

InChIKey

RUOJZAUFBMNUDX-UHFFFAOYSA-N

Compound name

4-methyl-1,3-dioxolan-2-one

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 105
References: 66780
Patents: 102.03169 Da
Monoisotopic Mass: -0.4
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]+	103.03897	115.2
[M+Na]+	125.02091	126.1
[M+NH4]+	120.06551	123.7
[M+K]+	140.99485	124.2
[M-H]-	101.02441	118.4
[M+Na-2H]-	123.00636	119.0
[M]+	102.03114	117.5
[M]-	102.03224	117.5

Literature stripe

literature stripe

Patent stripe

patents stripe