CID 13397002

1643386-07-5

Structural Information

Molecular Formula
C9H15IO
SMILES
C1CCC2C(C1)CC(O2)CI
InChI
InChI=1S/C9H15IO/c10-6-8-5-7-3-1-2-4-9(7)11-8/h7-9H,1-6H2
InChIKey
BEGLGHHJJMBSRC-UHFFFAOYSA-N
Compound name
2-(iodomethyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.01675 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.02403 140.5
[M+Na]+ 289.00597 143.3
[M+NH4]+ 284.05057 146.1
[M+K]+ 304.97991 142.0
[M-H]- 265.00947 137.8
[M+Na-2H]- 286.99142 131.5
[M]+ 266.01620 138.9
[M]- 266.01730 138.9
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

No patent data available for this compound.