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]+ 269.00331 141.9
[M+Na]+ 290.98525 141.4
[M-H]- 266.98875 141.1
[M+NH4]+ 286.02985 160.4
[M+K]+ 306.95919 148.1
[M+H-H2O]+ 250.99329 134.5
[M+HCOO]- 312.99423 157.3
[M+CH3COO]- 327.00988 181.7
[M+Na-2H]- 288.97070 135.4
[M]+ 267.99548 137.4
[M]- 267.99658 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.