CID 95703

3-ethylpent-4-en-1-yn-3-ol

Structural Information

Molecular Formula

C₇H₁₀O

SMILES

CCC(C=C)(C#C)O

InChI

InChI=1S/C7H10O/c1-4-7(8,5-2)6-3/h1,5,8H,2,6H2,3H3

InChIKey

BHVQKUWREDMFLD-UHFFFAOYSA-N

Compound name

3-ethylpent-1-en-4-yn-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 110.073166 Da
Monoisotopic Mass: 1.2
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]+	111.08044	125.1
[M+Na]+	133.06238	134.6
[M-H]-	109.06589	124.0
[M+NH4]+	128.10699	145.1
[M+K]+	149.03632	132.5
[M+H-H2O]+	93.070426	115.7
[M+HCOO]-	155.07137	140.8
[M+CH3COO]-	169.08702	176.8
[M+Na-2H]-	131.04783	131.0
[M]+	110.07262	119.4
[M]-	110.07371	119.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe