CID 78086

4,4-dimethyl-2-methylene-1-pentanol

Structural Information

Molecular Formula

C₈H₁₆O

SMILES

CC(C)(C)CC(=C)CO

InChI

InChI=1S/C8H16O/c1-7(6-9)5-8(2,3)4/h9H,1,5-6H2,2-4H3

InChIKey

SSTMSMYLTOSLSY-UHFFFAOYSA-N

Compound name

4,4-dimethyl-2-methylidenepentan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 128.12012 Da
Monoisotopic Mass: 2.4
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]+	129.12740	130.3
[M+Na]+	151.10934	140.0
[M+NH4]+	146.15394	137.9
[M+K]+	167.08328	135.3
[M-H]-	127.11284	128.9
[M+Na-2H]-	149.09479	133.4
[M]+	128.11957	131.1
[M]-	128.12067	131.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe