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]+ 281.998546 137.1
[M+Na]+ 303.980488 136.5
[M-H]- 279.983994 131.6
[M+NH4]+ 299.025093 151.4
[M+K]+ 319.954428 141.8
[M+H-H2O]+ 263.988530 127.5
[M+HCOO]- 325.989471 148.0
[M+CH3COO]- 340.005121 188.4
[M+Na-2H]- 301.965936 132.6
[M]+ 280.99072142 132.0
[M]- 280.99181858 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.