CID 165908122

4-{3-iodobicyclo[1.1.1]pentan-1-yl}oxane

Structural Information

Molecular Formula
C10H15IO
SMILES
C1COCCC1C23CC(C2)(C3)I
InChI
InChI=1S/C10H15IO/c11-10-5-9(6-10,7-10)8-1-3-12-4-2-8/h8H,1-7H2
InChIKey
XPWPGEOIZMUZTB-UHFFFAOYSA-N
Compound name
4-(3-iodo-1-bicyclo[1.1.1]pentanyl)oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.01675 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.02403 139.8
[M+Na]+ 301.00597 138.1
[M-H]- 277.00947 140.2
[M+NH4]+ 296.05057 142.4
[M+K]+ 316.97991 148.1
[M+H-H2O]+ 261.01401 125.0
[M+HCOO]- 323.01495 147.5
[M+CH3COO]- 337.03060 213.0
[M+Na-2H]- 298.99142 139.3
[M]+ 278.01620 158.8
[M]- 278.01730 158.8
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.