CID 170304

3-methyl-6-methylene-4-octyn-3-ol

Structural Information

Molecular Formula

C₁₀H₁₆O

SMILES

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

InChI

InChI=1S/C10H16O/c1-5-9(3)7-8-10(4,11)6-2/h11H,3,5-6H2,1-2,4H3

InChIKey

RLTCMUPDENBOCP-UHFFFAOYSA-N

Compound name

3-methyl-6-methylideneoct-4-yn-3-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 152.12012 Da
Monoisotopic Mass: 2.8
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]+	153.127396	138.4
[M+Na]+	175.109338	146.8
[M-H]-	151.112844	137.0
[M+NH4]+	170.153943	157.1
[M+K]+	191.083278	144.3
[M+H-H2O]+	135.117380	128.6
[M+HCOO]-	197.118321	152.4
[M+CH3COO]-	211.133971	184.5
[M+Na-2H]-	173.094786	141.7
[M]+	152.11957142	133.0
[M]-	152.12066858	133.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe