CID 6452312

50975-38-7

Structural Information

Molecular Formula

C₁₀H₁₈O₂

SMILES

CC(=C)COCCOCC(=C)C

InChI

InChI=1S/C10H18O2/c1-9(2)7-11-5-6-12-8-10(3)4/h1,3,5-8H2,2,4H3

InChIKey

XTGIWPVOMMMMJV-UHFFFAOYSA-N

Compound name

2-methyl-3-[2-(2-methylprop-2-enoxy)ethoxy]prop-1-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 87
Patents: 170.13068 Da
Monoisotopic Mass: 2.5
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]+	171.137956	140.7
[M+Na]+	193.119898	146.5
[M-H]-	169.123404	140.6
[M+NH4]+	188.164503	161.2
[M+K]+	209.093838	145.9
[M+H-H2O]+	153.127940	135.8
[M+HCOO]-	215.128881	162.2
[M+CH3COO]-	229.144531	183.1
[M+Na-2H]-	191.105346	143.3
[M]+	170.13013142	143.8
[M]-	170.13122858	143.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe