CID 165905711

2168703-19-1

Structural Information

Molecular Formula
C9H15IO2
SMILES
C1CC(OC2C1COCC2)CI
InChI
InChI=1S/C9H15IO2/c10-5-8-2-1-7-6-11-4-3-9(7)12-8/h7-9H,1-6H2
InChIKey
BHTOMWNDHOGNIX-UHFFFAOYSA-N
Compound name
2-(iodomethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.0117 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.01898 143.7
[M+Na]+ 305.00092 141.3
[M-H]- 281.00442 140.9
[M+NH4]+ 300.04552 157.1
[M+K]+ 320.97486 147.9
[M+H-H2O]+ 265.00896 134.3
[M+HCOO]- 327.00990 154.5
[M+CH3COO]- 341.02555 187.4
[M+Na-2H]- 302.98637 138.8
[M]+ 282.01115 137.3
[M]- 282.01225 137.3
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.