CID 71418193

6-methylhept-3-yn-1-ol

Structural Information

Molecular Formula

C₈H₁₄O

SMILES

CC(C)CC#CCCO

InChI

InChI=1S/C8H14O/c1-8(2)6-4-3-5-7-9/h8-9H,5-7H2,1-2H3

InChIKey

UEFRUCZXPDBXSV-UHFFFAOYSA-N

Compound name

6-methylhept-3-yn-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
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	127.2
[M+Na]+	149.09368	137.2
[M+NH4]+	144.13828	131.7
[M+K]+	165.06762	128.9
[M-H]-	125.09718	118.8
[M+Na-2H]-	147.07913	128.1
[M]+	126.10391	125.3
[M]-	126.10501	125.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe