CID 520069

1-decanol, 2,2-dimethyl-

Structural Information

Molecular Formula

C₁₂H₂₆O

SMILES

CCCCCCCCC(C)(C)CO

InChI

InChI=1S/C12H26O/c1-4-5-6-7-8-9-10-12(2,3)11-13/h13H,4-11H2,1-3H3

InChIKey

OSJLCOMCKUOKDD-UHFFFAOYSA-N

Compound name

2,2-dimethyldecan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 186.19836 Da
Monoisotopic Mass: 4.9
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]+	187.20564	148.3
[M+Na]+	209.18758	157.4
[M+NH4]+	204.23218	155.6
[M+K]+	225.16152	151.1
[M-H]-	185.19108	147.1
[M+Na-2H]-	207.17303	150.8
[M]+	186.19781	149.1
[M]-	186.19891	149.1

Literature stripe

literature stripe

Patent stripe

patents stripe