CID 9964460

Oxetane, 3,3'-[oxybis(methylene)]bis[3-ethyl-

Structural Information

Molecular Formula
C12H22O3
SMILES
CCC1(COC1)COCC2(COC2)CC
InChI
InChI=1S/C12H22O3/c1-3-11(5-13-6-11)9-15-10-12(4-2)7-14-8-12/h3-10H2,1-2H3
InChIKey
FNYWFRSQRHGKJT-UHFFFAOYSA-N
Compound name
3-ethyl-3-[(3-ethyloxetan-3-yl)methoxymethyl]oxetane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

7696
Patents

214.15689 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.164166 135.9
[M+Na]+ 237.146108 138.8
[M-H]- 213.149614 143.0
[M+NH4]+ 232.190713 142.6
[M+K]+ 253.120048 146.0
[M+H-H2O]+ 197.154150 124.2
[M+HCOO]- 259.155091 152.5
[M+CH3COO]- 273.170741 198.4
[M+Na-2H]- 235.131556 143.8
[M]+ 214.15634142 155.6
[M]- 214.15743858 155.6
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