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

1432
Patents

314.2457 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.252976 164.0
[M+Na]+ 337.234918 164.1
[M-H]- 313.238424 169.8
[M+NH4]+ 332.279523 166.8
[M+K]+ 353.208858 170.6
[M+H-H2O]+ 297.242960 150.9
[M+HCOO]- 359.243901 178.7
[M+CH3COO]- 373.259551 215.7
[M+Na-2H]- 335.220366 168.8
[M]+ 314.24515142 186.7
[M]- 314.24624858 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