CID 137965695

3-(iodomethyl)-4-oxa-1-azabicyclo[3.3.1]nonan-8-one

Structural Information

Molecular Formula
C8H12INO2
SMILES
C1CC(=O)N2CC1OC(C2)CI
InChI
InChI=1S/C8H12INO2/c9-3-7-5-10-4-6(12-7)1-2-8(10)11/h6-7H,1-5H2
InChIKey
YBDXSAYPXIZUEM-UHFFFAOYSA-N
Compound name
3-(iodomethyl)-4-oxa-1-azabicyclo[3.3.1]nonan-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.99127 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.99855 137.1
[M+Na]+ 303.98049 136.5
[M-H]- 279.98399 131.6
[M+NH4]+ 299.02509 151.4
[M+K]+ 319.95443 141.8
[M+H-H2O]+ 263.98853 127.5
[M+HCOO]- 325.98947 148.0
[M+CH3COO]- 340.00512 188.4
[M+Na-2H]- 301.96594 132.6
[M]+ 280.99072 132.0
[M]- 280.99182 132.0
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.