CID 3018500

2,4-dimethylnonan-4-ol

Structural Information

Molecular Formula

C₁₁H₂₄O

SMILES

CCCCCC(C)(CC(C)C)O

InChI

InChI=1S/C11H24O/c1-5-6-7-8-11(4,12)9-10(2)3/h10,12H,5-9H2,1-4H3

InChIKey

ZCYIZHWZWCLYQE-UHFFFAOYSA-N

Compound name

2,4-dimethylnonan-4-ol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 61
Patents: 172.18271 Da
Monoisotopic Mass: 3.8
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]+	173.18999	144.1
[M+Na]+	195.17193	153.1
[M+NH4]+	190.21653	151.5
[M+K]+	211.14587	147.8
[M-H]-	171.17543	142.8
[M+Na-2H]-	193.15738	146.5
[M]+	172.18216	144.9
[M]-	172.18326	144.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe