CID 94111

(ethoxymethoxy)cyclododecane

Structural Information

Molecular Formula
C15H30O2
SMILES
CCOCOC1CCCCCCCCCCC1
InChI
InChI=1S/C15H30O2/c1-2-16-14-17-15-12-10-8-6-4-3-5-7-9-11-13-15/h15H,2-14H2,1H3
InChIKey
VQNUNMBDOKEZHS-UHFFFAOYSA-N
Compound name
ethoxymethoxycyclododecane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

5224
Patents

242.22458 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.23186 159.9
[M+Na]+ 265.21380 160.4
[M-H]- 241.21730 159.1
[M+NH4]+ 260.25840 174.0
[M+K]+ 281.18774 160.1
[M+H-H2O]+ 225.22184 156.2
[M+HCOO]- 287.22278 175.8
[M+CH3COO]- 301.23843 186.8
[M+Na-2H]- 263.19925 160.4
[M]+ 242.22403 152.2
[M]- 242.22513 152.2
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