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

54
Patents

225.98546 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.992736 130.7
[M+Na]+ 248.974678 130.3
[M-H]- 224.978184 128.3
[M+NH4]+ 244.019283 142.9
[M+K]+ 264.948618 139.4
[M+H-H2O]+ 208.982720 119.1
[M+HCOO]- 270.983661 147.1
[M+CH3COO]- 284.999311 182.1
[M+Na-2H]- 246.960126 127.3
[M]+ 225.98491142 137.1
[M]- 225.98600858 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