CID 117632516

3-(iodomethyl)-2-oxaspiro[4.4]nonan-1-one

Structural Information

Molecular Formula
C9H13IO2
SMILES
C1CCC2(C1)CC(OC2=O)CI
InChI
InChI=1S/C9H13IO2/c10-6-7-5-9(8(11)12-7)3-1-2-4-9/h7H,1-6H2
InChIKey
QZWJAXSDRYDXMI-UHFFFAOYSA-N
Compound name
3-(iodomethyl)-2-oxaspiro[4.4]nonan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

279.99603 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.003306 143.6
[M+Na]+ 302.985248 143.8
[M-H]- 278.988754 142.5
[M+NH4]+ 298.029853 163.1
[M+K]+ 318.959188 148.8
[M+H-H2O]+ 262.993290 136.1
[M+HCOO]- 324.994231 159.8
[M+CH3COO]- 339.009881 184.6
[M+Na-2H]- 300.970696 135.4
[M]+ 279.99548142 138.6
[M]- 279.99657858 138.6
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

patents stripe