CID 145874310

2375271-09-1

Structural Information

Molecular Formula
C8H11IO
SMILES
C1C(CO1)C23CC(C2)(C3)I
InChI
InChI=1S/C8H11IO/c9-8-3-7(4-8,5-8)6-1-10-2-6/h6H,1-5H2
InChIKey
NWRWNHXXSUQKKF-UHFFFAOYSA-N
Compound name
3-(3-iodo-1-bicyclo[1.1.1]pentanyl)oxetane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.98546 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.99274 141.4
[M+Na]+ 272.97468 140.6
[M-H]- 248.97818 143.0
[M+NH4]+ 268.01928 140.4
[M+K]+ 288.94862 150.3
[M+H-H2O]+ 232.98272 127.5
[M+HCOO]- 294.98366 148.6
[M+CH3COO]- 308.99931 225.6
[M+Na-2H]- 270.96013 140.7
[M]+ 249.98491 163.9
[M]- 249.98601 163.9
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.