CID 8184

1-undecanol

Structural Information

Molecular Formula

C₁₁H₂₄O

SMILES

CCCCCCCCCCCO

InChI

InChI=1S/C11H24O/c1-2-3-4-5-6-7-8-9-10-11-12/h12H,2-11H2,1H3

InChIKey

KJIOQYGWTQBHNH-UHFFFAOYSA-N

Compound name

undecan-1-ol

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 78
References: 43988
Patents: 172.18271 Da
Monoisotopic Mass: 4.6
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	145.5
[M+Na]+	195.171928	150.2
[M-H]-	171.175434	143.5
[M+NH4]+	190.216533	165.5
[M+K]+	211.145868	148.3
[M+H-H2O]+	155.179970	140.4
[M+HCOO]-	217.180911	166.4
[M+CH3COO]-	231.196561	181.7
[M+Na-2H]-	193.157376	149.4
[M]+	172.18216142	148.3
[M]-	172.18325858	148.3

Literature stripe

literature stripe

Patent stripe

patents stripe