CID 558946

2-(iodomethyl)-5-methyloxolane

Structural Information

Molecular Formula
C6H11IO
SMILES
CC1CCC(O1)CI
InChI
InChI=1S/C6H11IO/c1-5-2-3-6(4-7)8-5/h5-6H,2-4H2,1H3
InChIKey
UORBAIPDXXLMMX-UHFFFAOYSA-N
Compound name
2-(iodomethyl)-5-methyloxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

225.98546 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.99274 130.9
[M+Na]+ 248.97468 134.1
[M+NH4]+ 244.01928 135.8
[M+K]+ 264.94862 133.5
[M-H]- 224.97818 127.4
[M+Na-2H]- 246.96013 122.9
[M]+ 225.98491 129.2
[M]- 225.98601 129.2
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