CID 2763047

2-(iodomethyl)oxane

Structural Information

Molecular Formula
C6H11IO
SMILES
C1CCOC(C1)CI
InChI
InChI=1S/C6H11IO/c7-5-6-3-1-2-4-8-6/h6H,1-5H2
InChIKey
CEPXWUHXEXKVLW-UHFFFAOYSA-N
Compound name
2-(iodomethyl)oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

225.98546 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.99274 130.1
[M+Na]+ 248.97468 134.0
[M+NH4]+ 244.01928 135.3
[M+K]+ 264.94862 131.4
[M-H]- 224.97818 127.5
[M+Na-2H]- 246.96013 123.4
[M]+ 225.98491 128.8
[M]- 225.98601 128.8
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