CID 137951961

5-(iodomethyl)-6-azabicyclo[3.2.1]octan-7-one

Structural Information

Molecular Formula
C8H12INO
SMILES
C1CC2CC(C1)(NC2=O)CI
InChI
InChI=1S/C8H12INO/c9-5-8-3-1-2-6(4-8)7(11)10-8/h6H,1-5H2,(H,10,11)
InChIKey
AFTLFASGCHYHNR-UHFFFAOYSA-N
Compound name
5-(iodomethyl)-6-azabicyclo[3.2.1]octan-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.99637 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.00365 135.2
[M+Na]+ 287.98559 135.3
[M-H]- 263.98909 128.2
[M+NH4]+ 283.03019 154.3
[M+K]+ 303.95953 138.3
[M+H-H2O]+ 247.99363 127.0
[M+HCOO]- 309.99457 147.6
[M+CH3COO]- 324.01022 182.1
[M+Na-2H]- 285.97104 129.6
[M]+ 264.99582 128.4
[M]- 264.99692 128.4
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.