CID 137943344

2287322-54-5

Structural Information

Molecular Formula
C10H15IO
SMILES
C1C2CC3CC1CC(C2)(O3)CI
InChI
InChI=1S/C10H15IO/c11-6-10-4-7-1-8(5-10)3-9(2-7)12-10/h7-9H,1-6H2
InChIKey
DOJORYGOAIENAS-UHFFFAOYSA-N
Compound name
1-(iodomethyl)-2-oxatricyclo[3.3.1.13,7]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.01675 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.02403 125.8
[M+Na]+ 301.00597 122.7
[M-H]- 277.00947 115.9
[M+NH4]+ 296.05057 146.9
[M+K]+ 316.97991 126.9
[M+H-H2O]+ 261.01401 116.9
[M+HCOO]- 323.01495 129.6
[M+CH3COO]- 337.03060 132.7
[M+Na-2H]- 298.99142 128.5
[M]+ 278.01620 124.2
[M]- 278.01730 124.2
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.