CID 215334

2,3-dimethyl-1-penten-4-yn-3-ol

Structural Information

Molecular Formula

C₇H₁₀O

SMILES

CC(=C)C(C)(C#C)O

InChI

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

InChIKey

DYZLLZCBSQZDBN-UHFFFAOYSA-N

Compound name

2,3-dimethylpent-1-en-4-yn-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 110.073166 Da
Monoisotopic Mass: 1.3
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	123.0
[M+Na]+	133.06238	132.9
[M+NH4]+	128.10699	127.1
[M+K]+	149.03632	125.8
[M-H]-	109.06589	113.9
[M+Na-2H]-	131.04783	123.9
[M]+	110.07262	120.9
[M]-	110.07371	120.9

Literature stripe

literature stripe

Patent stripe

patents stripe