CID 10342

2-methyl-1,3-dioxolane

Structural Information

Molecular Formula

C₄H₈O₂

SMILES

CC1OCCO1

InChI

InChI=1S/C4H8O2/c1-4-5-2-3-6-4/h4H,2-3H2,1H3

InChIKey

HTWIZMNMTWYQRN-UHFFFAOYSA-N

Compound name

2-methyl-1,3-dioxolane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 45
References: 10286
Patents: 88.05243 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]+	89.059706	113.0
[M+Na]+	111.04165	120.4
[M-H]-	87.045154	117.7
[M+NH4]+	106.08625	135.7
[M+K]+	127.01559	123.3
[M+H-H2O]+	71.049690	108.9
[M+HCOO]-	133.05063	135.5
[M+CH3COO]-	147.06628	161.1
[M+Na-2H]-	109.02710	121.7
[M]+	88.051881	112.9
[M]-	88.052979	112.9

Literature stripe

literature stripe

Patent stripe

patents stripe