CID 70100

7-octyn-1-ol

Structural Information

Molecular Formula

C₈H₁₄O

SMILES

C#CCCCCCCO

InChI

InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h1,9H,3-8H2

InChIKey

ATCNYMVVGBLQMQ-UHFFFAOYSA-N

Compound name

oct-7-yn-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 399
Patents: 126.10446 Da
Monoisotopic Mass: 1.9
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]+	127.11174	126.8
[M+Na]+	149.09368	137.1
[M+NH4]+	144.13828	131.3
[M+K]+	165.06762	128.0
[M-H]-	125.09718	118.6
[M+Na-2H]-	147.07913	128.1
[M]+	126.10391	125.0
[M]-	126.10501	125.0

Literature stripe

literature stripe

Patent stripe

patents stripe