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

7
Annotation Hits: 104
References: 80869
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	113.9
[M+Na]+	125.02091	122.5
[M-H]-	101.02441	119.1
[M+NH4]+	120.06551	136.3
[M+K]+	140.99485	125.2
[M+H-H2O]+	85.028950	110.1
[M+HCOO]-	147.02989	136.9
[M+CH3COO]-	161.04554	163.4
[M+Na-2H]-	123.00636	122.0
[M]+	102.03114	115.0
[M]-	102.03224	115.0

Literature stripe

literature stripe

Patent stripe

patents stripe