CID 21867834

298695-60-0

Structural Information

Molecular Formula
C14H28O2
SMILES
CCCCC(CC)COCC1(COC1)CC
InChI
InChI=1S/C14H28O2/c1-4-7-8-13(5-2)9-15-10-14(6-3)11-16-12-14/h13H,4-12H2,1-3H3
InChIKey
BIDWUUDRRVHZLQ-UHFFFAOYSA-N
Compound name
3-ethyl-3-(2-ethylhexoxymethyl)oxetane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7211
Patents

228.20892 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.216196 157.8
[M+Na]+ 251.198138 160.6
[M-H]- 227.201644 160.8
[M+NH4]+ 246.242743 170.2
[M+K]+ 267.172078 163.7
[M+H-H2O]+ 211.206180 147.9
[M+HCOO]- 273.207121 175.9
[M+CH3COO]- 287.222771 196.5
[M+Na-2H]- 249.183586 161.3
[M]+ 228.20837142 170.7
[M]- 228.20946858 170.7
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

patents stripe