CID 111206

2-methoxy-2-butene

Structural Information

Molecular Formula

C₅H₁₀O

SMILES

CC=C(C)OC

InChI

InChI=1S/C5H10O/c1-4-5(2)6-3/h4H,1-3H3

InChIKey

JWBPCSXRWORRAI-UHFFFAOYSA-N

Compound name

2-methoxybut-2-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1023
Patents: 86.073166 Da
Monoisotopic Mass: 1.4
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]+	87.080442	115.7
[M+Na]+	109.06238	123.6
[M-H]-	85.065890	116.5
[M+NH4]+	104.10699	139.9
[M+K]+	125.03632	124.1
[M+H-H2O]+	69.070426	111.9
[M+HCOO]-	131.07137	139.4
[M+CH3COO]-	145.08702	165.5
[M+Na-2H]-	107.04783	122.3
[M]+	86.072617	116.7
[M]-	86.073715	116.7

Literature stripe

literature stripe

Patent stripe

patents stripe