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

39
Patents

279.99603 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.00331 143.6
[M+Na]+ 302.98525 143.8
[M-H]- 278.98875 142.5
[M+NH4]+ 298.02985 163.1
[M+K]+ 318.95919 148.8
[M+H-H2O]+ 262.99329 136.1
[M+HCOO]- 324.99423 159.8
[M+CH3COO]- 339.00988 184.6
[M+Na-2H]- 300.97070 135.4
[M]+ 279.99548 138.6
[M]- 279.99658 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