CID 137704233

3-(iodomethyl)-2,7-dioxaspiro[4.4]nonane

Structural Information

Molecular Formula
C8H13IO2
SMILES
C1COCC12CC(OC2)CI
InChI
InChI=1S/C8H13IO2/c9-4-7-3-8(6-11-7)1-2-10-5-8/h7H,1-6H2
InChIKey
OABDZLZKSBQRFV-UHFFFAOYSA-N
Compound name
3-(iodomethyl)-2,7-dioxaspiro[4.4]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.99603 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.003306 141.9
[M+Na]+ 290.985248 141.4
[M-H]- 266.988754 141.1
[M+NH4]+ 286.029853 160.4
[M+K]+ 306.959188 148.1
[M+H-H2O]+ 250.993290 134.5
[M+HCOO]- 312.994231 157.3
[M+CH3COO]- 327.009881 181.7
[M+Na-2H]- 288.970696 135.4
[M]+ 267.99548142 137.4
[M]- 267.99657858 137.4
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.