CID 137965898

1-(iodomethyl)-2-oxabicyclo[2.1.1]hexane-4-carbonitrile

Structural Information

Molecular Formula
C7H8INO
SMILES
C1C2(CC1(OC2)CI)C#N
InChI
InChI=1S/C7H8INO/c8-3-7-1-6(2-7,4-9)5-10-7/h1-3,5H2
InChIKey
NLOLKUSPFQNSJF-UHFFFAOYSA-N
Compound name
1-(iodomethyl)-2-oxabicyclo[2.1.1]hexane-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

248.96506 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.97234 129.4
[M+Na]+ 271.95428 134.4
[M-H]- 247.95778 126.5
[M+NH4]+ 266.99888 147.6
[M+K]+ 287.92822 136.9
[M+H-H2O]+ 231.96232 115.6
[M+HCOO]- 293.96326 141.3
[M+CH3COO]- 307.97891 139.0
[M+Na-2H]- 269.93973 129.9
[M]+ 248.96451 135.0
[M]- 248.96561 135.0
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

No patent data available for this compound.