CID 3014748

1,5-cyclododecanediol

Structural Information

Molecular Formula

C₁₂H₂₄O₂

SMILES

C1CCCC(CCCC(CCC1)O)O

InChI

InChI=1S/C12H24O2/c13-11-7-4-2-1-3-5-8-12(14)10-6-9-11/h11-14H,1-10H2

InChIKey

JCHGLCILVPYMQG-UHFFFAOYSA-N

Compound name

cyclododecane-1,5-diol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 12
Patents: 200.17763 Da
Monoisotopic Mass: 2.0
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]+	201.184906	148.2
[M+Na]+	223.166848	150.1
[M-H]-	199.170354	145.6
[M+NH4]+	218.211453	163.0
[M+K]+	239.140788	148.8
[M+H-H2O]+	183.174890	146.0
[M+HCOO]-	245.175831	162.1
[M+CH3COO]-	259.191481	173.7
[M+Na-2H]-	221.152296	148.6
[M]+	200.17708142	136.1
[M]-	200.17817858	136.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe