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 139.4
[M+Na]+ 289.00597 137.9
[M-H]- 265.00947 136.3
[M+NH4]+ 284.05057 156.6
[M+K]+ 304.97991 142.9
[M+H-H2O]+ 249.01401 130.8
[M+HCOO]- 311.01495 153.0
[M+CH3COO]- 325.03060 185.0
[M+Na-2H]- 286.99142 132.3
[M]+ 266.01620 133.1
[M]- 266.01730 133.1
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.