CID 3084534

4,4,8,8-tetramethyl-1-nonanol

Structural Information

Molecular Formula

C₁₃H₂₈O

SMILES

CC(C)(C)CCCC(C)(C)CCCO

InChI

InChI=1S/C13H28O/c1-12(2,3)8-6-9-13(4,5)10-7-11-14/h14H,6-11H2,1-5H3

InChIKey

WKTVRTJDPYXQSZ-UHFFFAOYSA-N

Compound name

4,4,8,8-tetramethylnonan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 200.21402 Da
Monoisotopic Mass: 4.8
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]+	201.22130	153.1
[M+Na]+	223.20324	161.7
[M+NH4]+	218.24784	160.1
[M+K]+	239.17718	156.4
[M-H]-	199.20674	151.3
[M+Na-2H]-	221.18869	155.3
[M]+	200.21347	153.8
[M]-	200.21457	153.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe