CID 132350879

2137616-38-5

Structural Information

Molecular Formula
C10H15IO3
SMILES
C1COC2(O1)CC3(C2)CC(OC3)CI
InChI
InChI=1S/C10H15IO3/c11-4-8-3-9(7-12-8)5-10(6-9)13-1-2-14-10/h8H,1-7H2
InChIKey
IHAKHVFWZNMSND-UHFFFAOYSA-N
Compound name
2-(iodomethyl)-3,8,11-trioxadispiro[4.1.47.15]dodecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.0066 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.01388 139.7
[M+Na]+ 332.99582 138.3
[M-H]- 308.99932 141.9
[M+NH4]+ 328.04042 151.6
[M+K]+ 348.96976 147.9
[M+H-H2O]+ 293.00386 130.2
[M+HCOO]- 355.00480 152.4
[M+CH3COO]- 369.02045 191.1
[M+Na-2H]- 330.98127 135.3
[M]+ 310.00605 144.4
[M]- 310.00715 144.4
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.