CID 20751976

3-ethyl-3-[4-[(3-ethyloxetan-3-yl)methoxy]butoxymethyl]oxetane

Structural Information

Molecular Formula
C16H30O4
SMILES
CCC1(COC1)COCCCCOCC2(COC2)CC
InChI
InChI=1S/C16H30O4/c1-3-15(11-19-12-15)9-17-7-5-6-8-18-10-16(4-2)13-20-14-16/h3-14H2,1-2H3
InChIKey
UWFHYGTWXNRUDH-UHFFFAOYSA-N
Compound name
3-ethyl-3-[4-[(3-ethyloxetan-3-yl)methoxy]butoxymethyl]oxetane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1721
Patents

286.21442 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.221696 155.3
[M+Na]+ 309.203638 156.2
[M-H]- 285.207144 161.5
[M+NH4]+ 304.248243 159.1
[M+K]+ 325.177578 163.2
[M+H-H2O]+ 269.211680 142.6
[M+HCOO]- 331.212621 170.7
[M+CH3COO]- 345.228271 210.6
[M+Na-2H]- 307.189086 161.2
[M]+ 286.21387142 177.4
[M]- 286.21496858 177.4
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