CID 70368

1,1-dimethoxycyclododecane

Structural Information

Molecular Formula
C14H28O2
SMILES
COC1(CCCCCCCCCCC1)OC
InChI
InChI=1S/C14H28O2/c1-15-14(16-2)12-10-8-6-4-3-5-7-9-11-13-14/h3-13H2,1-2H3
InChIKey
XXNCXSHVDVCRKB-UHFFFAOYSA-N
Compound name
1,1-dimethoxycyclododecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

906
Patents

228.20892 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.21620 156.4
[M+Na]+ 251.19814 165.2
[M+NH4]+ 246.24274 165.5
[M+K]+ 267.17208 156.5
[M-H]- 227.20164 159.0
[M+Na-2H]- 249.18359 162.6
[M]+ 228.20837 158.1
[M]- 228.20947 158.1
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