CID 15595

Cyclododecanol

Structural Information

Molecular Formula

C₁₂H₂₄O

SMILES

C1CCCCCC(CCCCC1)O

InChI

InChI=1S/C12H24O/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h12-13H,1-11H2

InChIKey

SFVWPXMPRCIVOK-UHFFFAOYSA-N

Compound name

cyclododecanol

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 5
References: 4377
Patents: 184.18271 Da
Monoisotopic Mass: 3.8
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]+	185.18999	144.5
[M+Na]+	207.17193	145.9
[M-H]-	183.17543	142.9
[M+NH4]+	202.21653	160.4
[M+K]+	223.14587	145.0
[M+H-H2O]+	167.17997	141.9
[M+HCOO]-	229.18091	159.7
[M+CH3COO]-	243.19656	173.2
[M+Na-2H]-	205.15738	146.1
[M]+	184.18216	132.4
[M]-	184.18326	132.4

Literature stripe

literature stripe

Patent stripe

patents stripe