CID 2795507

4-(iodomethyl)oxane

Structural Information

Molecular Formula
C6H11IO
SMILES
C1COCCC1CI
InChI
InChI=1S/C6H11IO/c7-5-6-1-3-8-4-2-6/h6H,1-5H2
InChIKey
MQLFSPBSNWUXSO-UHFFFAOYSA-N
Compound name
4-(iodomethyl)oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

549
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 132.7
[M+Na]+ 248.97468 131.1
[M-H]- 224.97818 129.2
[M+NH4]+ 244.01928 148.6
[M+K]+ 264.94862 137.6
[M+H-H2O]+ 208.98272 123.9
[M+HCOO]- 270.98366 148.0
[M+CH3COO]- 284.99931 177.5
[M+Na-2H]- 246.96013 127.8
[M]+ 225.98491 127.0
[M]- 225.98601 127.0
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