CID 20823171

3-ethyl-3-(6-((3-ethyloxetan-3-yl)methoxy)hexoxymethyl)oxetane

Structural Information

Molecular Formula
C18H34O4
SMILES
CCC1(COC1)COCCCCCCOCC2(COC2)CC
InChI
InChI=1S/C18H34O4/c1-3-17(13-21-14-17)11-19-9-7-5-6-8-10-20-12-18(4-2)15-22-16-18/h3-16H2,1-2H3
InChIKey
GBDPVIKGIRHANI-UHFFFAOYSA-N
Compound name
3-ethyl-3-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxymethyl]oxetane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1972
Patents

314.2457 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.25298 164.0
[M+Na]+ 337.23492 164.1
[M-H]- 313.23842 169.8
[M+NH4]+ 332.27952 166.8
[M+K]+ 353.20886 170.6
[M+H-H2O]+ 297.24296 150.9
[M+HCOO]- 359.24390 178.7
[M+CH3COO]- 373.25955 215.7
[M+Na-2H]- 335.22037 168.8
[M]+ 314.24515 186.7
[M]- 314.24625 186.7
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