CID 23092894

3-ethyl-3-(iodomethyl)oxetane

Structural Information

Molecular Formula
C6H11IO
SMILES
CCC1(COC1)CI
InChI
InChI=1S/C6H11IO/c1-2-6(3-7)4-8-5-6/h2-5H2,1H3
InChIKey
XDJIQWRWOJKPCS-UHFFFAOYSA-N
Compound name
3-ethyl-3-(iodomethyl)oxetane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

225.98546 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.99274 130.7
[M+Na]+ 248.97468 130.3
[M-H]- 224.97818 128.3
[M+NH4]+ 244.01928 142.9
[M+K]+ 264.94862 139.4
[M+H-H2O]+ 208.98272 119.1
[M+HCOO]- 270.98366 147.1
[M+CH3COO]- 284.99931 182.1
[M+Na-2H]- 246.96013 127.3
[M]+ 225.98491 137.1
[M]- 225.98601 137.1
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