CID 8193

1-dodecanol

Structural Information

Molecular Formula

C₁₂H₂₆O

SMILES

CCCCCCCCCCCCO

InChI

InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3

InChIKey

LQZZUXJYWNFBMV-UHFFFAOYSA-N

Compound name

dodecan-1-ol

Related CIDs

2D Structure

compound 2d structure

10
Annotation Hits: 496
References: 51203
Patents: 186.19836 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]+	187.20564	150.1
[M+Na]+	209.18758	154.4
[M-H]-	185.19108	147.8
[M+NH4]+	204.23218	169.5
[M+K]+	225.16152	152.2
[M+H-H2O]+	169.19562	144.8
[M+HCOO]-	231.19656	170.6
[M+CH3COO]-	245.21221	184.7
[M+Na-2H]-	207.17303	153.4
[M]+	186.19781	153.2
[M]-	186.19891	153.2

Literature stripe

literature stripe

Patent stripe

patents stripe