CID 13230701

22515-82-8

Structural Information

Molecular Formula

C₇H₁₂O₂

SMILES

CCC1(OCCO1)C=C

InChI

InChI=1S/C7H12O2/c1-3-7(4-2)8-5-6-9-7/h3H,1,4-6H2,2H3

InChIKey

USRYHFPJVIKINJ-UHFFFAOYSA-N

Compound name

2-ethenyl-2-ethyl-1,3-dioxolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 128.08372 Da
Monoisotopic Mass: 1.2
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]+	129.090996	124.3
[M+Na]+	151.072938	131.6
[M-H]-	127.076444	128.9
[M+NH4]+	146.117543	147.4
[M+K]+	167.046878	133.3
[M+H-H2O]+	111.080980	120.6
[M+HCOO]-	173.081921	146.0
[M+CH3COO]-	187.097571	168.9
[M+Na-2H]-	149.058386	132.6
[M]+	128.08317142	124.9
[M]-	128.08426858	124.9

Literature stripe

literature stripe

Patent stripe

patents stripe