CID 23268

6-dodecanol

Structural Information

Molecular Formula

C₁₂H₂₆O

SMILES

CCCCCCC(CCCCC)O

InChI

InChI=1S/C12H26O/c1-3-5-7-9-11-12(13)10-8-6-4-2/h12-13H,3-11H2,1-2H3

InChIKey

LRBBIFXICMMTOW-UHFFFAOYSA-N

Compound name

dodecan-6-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 575
Patents: 186.19836 Da
Monoisotopic Mass: 4.8
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]+	187.20564	150.8
[M+Na]+	209.18758	154.9
[M-H]-	185.19108	148.7
[M+NH4]+	204.23218	170.2
[M+K]+	225.16152	153.2
[M+H-H2O]+	169.19562	145.6
[M+HCOO]-	231.19656	170.4
[M+CH3COO]-	245.21221	185.5
[M+Na-2H]-	207.17303	152.9
[M]+	186.19781	153.3
[M]-	186.19891	153.3

Literature stripe

literature stripe

Patent stripe

patents stripe