CID 59336377

Dtxsid201177824

Structural Information

Molecular Formula

C₇H₁₄O₂

SMILES

CC(=C)CCOCCO

InChI

InChI=1S/C7H14O2/c1-7(2)3-5-9-6-4-8/h8H,1,3-6H2,2H3

InChIKey

PYPLZIXSJMVSEH-UHFFFAOYSA-N

Compound name

2-(3-methylbut-3-enoxy)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 243
Patents: 130.09938 Da
Monoisotopic Mass: 1.1
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]+	131.10666	128.6
[M+Na]+	153.08860	138.2
[M+NH4]+	148.13320	136.0
[M+K]+	169.06254	133.1
[M-H]-	129.09210	127.2
[M+Na-2H]-	151.07405	131.5
[M]+	130.09883	129.3
[M]-	130.09993	129.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe