CID 9268

Cyclododecane

Structural Information

Molecular Formula
C12H24
SMILES
C1CCCCCCCCCCC1
InChI
InChI=1S/C12H24/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-12H2
InChIKey
DDTBPAQBQHZRDW-UHFFFAOYSA-N
Compound name
cyclododecane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

15
References

27879
Patents

168.1878 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.19508 142.1
[M+Na]+ 191.17702 151.8
[M+NH4]+ 186.22162 151.2
[M+K]+ 207.15096 143.9
[M-H]- 167.18052 145.8
[M+Na-2H]- 189.16247 148.4
[M]+ 168.18725 144.1
[M]- 168.18835 144.1
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