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
2
Annotation Hits

0
References

9933
Patents

214.15689 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.16417 135.9
[M+Na]+ 237.14611 138.8
[M-H]- 213.14961 143.0
[M+NH4]+ 232.19071 142.6
[M+K]+ 253.12005 146.0
[M+H-H2O]+ 197.15415 124.2
[M+HCOO]- 259.15509 152.5
[M+CH3COO]- 273.17074 198.4
[M+Na-2H]- 235.13156 143.8
[M]+ 214.15634 155.6
[M]- 214.15744 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