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: 4
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]+	129.127396	130.0
[M+Na]+	151.109338	136.7
[M-H]-	127.112844	129.1
[M+NH4]+	146.153943	151.9
[M+K]+	167.083278	135.8
[M+H-H2O]+	111.117380	126.5
[M+HCOO]-	173.118321	149.6
[M+CH3COO]-	187.133971	172.1
[M+Na-2H]-	149.094786	135.0
[M]+	128.11957142	129.7
[M]-	128.12066858	129.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe