CID 21908640

3-methyldodec-1-yn-3-ol

Structural Information

Molecular Formula

C₁₃H₂₄O

SMILES

CCCCCCCCCC(C)(C#C)O

InChI

InChI=1S/C13H24O/c1-4-6-7-8-9-10-11-12-13(3,14)5-2/h2,14H,4,6-12H2,1,3H3

InChIKey

INASARODRJUTTN-UHFFFAOYSA-N

Compound name

3-methyldodec-1-yn-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 675
Patents: 196.18271 Da
Monoisotopic Mass: 4.4
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]+	197.18999	147.1
[M+Na]+	219.17193	156.1
[M+NH4]+	214.21653	150.7
[M+K]+	235.14587	147.1
[M-H]-	195.17543	138.1
[M+Na-2H]-	217.15738	147.0
[M]+	196.18216	144.9
[M]-	196.18326	144.9

Literature stripe

literature stripe

Patent stripe

patents stripe