CID 70220

926-02-3

Structural Information

Molecular Formula

C₆H₁₂O

SMILES

CC(C)(C)OC=C

InChI

InChI=1S/C6H12O/c1-5-7-6(2,3)4/h5H,1H2,2-4H3

InChIKey

PGYJSURPYAAOMM-UHFFFAOYSA-N

Compound name

2-ethenoxy-2-methylpropane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 15979
Patents: 100.08881 Da
Monoisotopic Mass: 1.8
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]+	101.09609	119.7
[M+Na]+	123.07803	127.9
[M-H]-	99.081534	120.6
[M+NH4]+	118.12263	143.5
[M+K]+	139.05197	128.1
[M+H-H2O]+	83.086070	116.4
[M+HCOO]-	145.08701	142.5
[M+CH3COO]-	159.10266	167.9
[M+Na-2H]-	121.06348	127.7
[M]+	100.08826	121.3
[M]-	100.08936	121.3

Literature stripe

literature stripe

Patent stripe

patents stripe