CID 557858

4-methyl-5-decanol

Structural Information

Molecular Formula

C₁₁H₂₄O

SMILES

CCCCCC(C(C)CCC)O

InChI

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

InChIKey

IWDFXEWIRIPTIB-UHFFFAOYSA-N

Compound name

4-methyldecan-5-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 22
Patents: 172.18271 Da
Monoisotopic Mass: 4.2
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]+	173.189986	146.6
[M+Na]+	195.171928	150.9
[M-H]-	171.175434	144.8
[M+NH4]+	190.216533	166.5
[M+K]+	211.145868	149.9
[M+H-H2O]+	155.179970	141.7
[M+HCOO]-	217.180911	165.5
[M+CH3COO]-	231.196561	183.3
[M+Na-2H]-	193.157376	147.9
[M]+	172.18216142	148.0
[M]-	172.18325858	148.0

Literature stripe

literature stripe

Patent stripe

patents stripe