CID 70235

Hex-4-yn-1-ol

Structural Information

Molecular Formula

C₆H₁₀O

SMILES

CC#CCCCO

InChI

InChI=1S/C6H10O/c1-2-3-4-5-6-7/h7H,4-6H2,1H3

InChIKey

VNUUMNNQQSAYCU-UHFFFAOYSA-N

Compound name

hex-4-yn-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 421
Patents: 98.073166 Da
Monoisotopic Mass: 1.0
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]+	99.080442	118.2
[M+Na]+	121.06238	127.7
[M-H]-	97.065890	117.0
[M+NH4]+	116.10699	138.8
[M+K]+	137.03632	126.0
[M+H-H2O]+	81.070426	108.5
[M+HCOO]-	143.07137	135.6
[M+CH3COO]-	157.08702	174.1
[M+Na-2H]-	119.04783	124.6
[M]+	98.072617	113.3
[M]-	98.073715	113.3

Literature stripe

literature stripe

Patent stripe

patents stripe