CID 21944

2-butenyl propenyl ether

Structural Information

Molecular Formula

C₇H₁₂O

SMILES

CC=CCOC=CC

InChI

InChI=1S/C7H12O/c1-3-5-7-8-6-4-2/h3-6H,7H2,1-2H3

InChIKey

QOCZFYYPDLVJLP-UHFFFAOYSA-N

Compound name

1-prop-1-enoxybut-2-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 112.08881 Da
Monoisotopic Mass: 1.9
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]+	113.096086	123.3
[M+Na]+	135.078028	130.9
[M-H]-	111.081534	123.6
[M+NH4]+	130.122633	146.4
[M+K]+	151.051968	129.9
[M+H-H2O]+	95.086070	119.1
[M+HCOO]-	157.087011	147.5
[M+CH3COO]-	171.102661	169.1
[M+Na-2H]-	133.063476	130.1
[M]+	112.08826142	124.9
[M]-	112.08935858	124.9

Literature stripe

literature stripe

Patent stripe

patents stripe