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

924
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

literature stripe

Patent stripe

patents stripe