CID 103950

Isoundecanol

Structural Information

Molecular Formula

C₁₁H₂₄O

SMILES

CC(C)CCCCCCCCO

InChI

InChI=1S/C11H24O/c1-11(2)9-7-5-3-4-6-8-10-12/h11-12H,3-10H2,1-2H3

InChIKey

JTKHUJNVHQWSAY-UHFFFAOYSA-N

Compound name

9-methyldecan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1239
Patents: 172.18271 Da
Monoisotopic Mass: 5.1
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	146.2
[M+Na]+	195.171928	150.7
[M-H]-	171.175434	144.3
[M+NH4]+	190.216533	166.2
[M+K]+	211.145868	149.3
[M+H-H2O]+	155.179970	141.2
[M+HCOO]-	217.180911	166.1
[M+CH3COO]-	231.196561	182.5
[M+Na-2H]-	193.157376	148.8
[M]+	172.18216142	148.3
[M]-	172.18325858	148.3

Literature stripe

literature stripe

Patent stripe

patents stripe