CID 9815980

2-cyclododecylpropan-1-ol

Structural Information

Molecular Formula
C15H30O
SMILES
CC(CO)C1CCCCCCCCCCC1
InChI
InChI=1S/C15H30O/c1-14(13-16)15-11-9-7-5-3-2-4-6-8-10-12-15/h14-16H,2-13H2,1H3
InChIKey
WKHTUDYDJUHYMK-UHFFFAOYSA-N
Compound name
2-cyclododecylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1032
Patents

226.22966 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.236936 158.2
[M+Na]+ 249.218878 158.1
[M-H]- 225.222384 156.2
[M+NH4]+ 244.263483 172.3
[M+K]+ 265.192818 156.9
[M+H-H2O]+ 209.226920 155.2
[M+HCOO]- 271.227861 171.4
[M+CH3COO]- 285.243511 183.0
[M+Na-2H]- 247.204326 156.9
[M]+ 226.22911142 146.5
[M]- 226.23020858 146.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe