CID 213840

4-methoxy-2-pentene

Structural Information

Molecular Formula

C₆H₁₂O

SMILES

CC=CC(C)OC

InChI

InChI=1S/C6H12O/c1-4-5-6(2)7-3/h4-6H,1-3H3

InChIKey

BHZPHJWPPWDASK-UHFFFAOYSA-N

Compound name

4-methoxypent-2-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
Patents: 100.08881 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]+	101.096086	120.5
[M+Na]+	123.078028	127.9
[M-H]-	99.081534	121.0
[M+NH4]+	118.122633	144.0
[M+K]+	139.051968	128.2
[M+H-H2O]+	83.086070	116.5
[M+HCOO]-	145.087011	143.8
[M+CH3COO]-	159.102661	168.5
[M+Na-2H]-	121.063476	126.5
[M]+	100.08826142	121.8
[M]-	100.08935858	121.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe