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
3
Annotation Hits

0
References

869
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 158.3
[M-H]- 227.20164 156.2
[M+NH4]+ 246.24274 173.2
[M+K]+ 267.17208 158.6
[M+H-H2O]+ 211.20618 153.7
[M+HCOO]- 273.20712 172.7
[M+CH3COO]- 287.22277 183.3
[M+Na-2H]- 249.18359 158.4
[M]+ 228.20837 148.6
[M]- 228.20947 148.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.