CID 22571166

Aron oxetane 121

Structural Information

Molecular Formula
C20H30O4
SMILES
CCC1(COC1)COCC2=CC=C(C=C2)COCC3(COC3)CC
InChI
InChI=1S/C20H30O4/c1-3-19(13-23-14-19)11-21-9-17-5-7-18(8-6-17)10-22-12-20(4-2)15-24-16-20/h5-8H,3-4,9-16H2,1-2H3
InChIKey
LMIOYAVXLAOXJI-UHFFFAOYSA-N
Compound name
3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methoxymethyl]phenyl]methoxymethyl]oxetane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9459
Patents

334.21442 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.221696 165.1
[M+Na]+ 357.203638 166.9
[M-H]- 333.207144 174.0
[M+NH4]+ 352.248243 167.1
[M+K]+ 373.177578 172.9
[M+H-H2O]+ 317.211680 150.5
[M+HCOO]- 379.212621 180.7
[M+CH3COO]- 393.228271 218.2
[M+Na-2H]- 355.189086 170.3
[M]+ 334.21387142 186.4
[M]- 334.21496858 186.4
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