CID 137951408

5-(iodomethyl)-6-azaspiro[3.4]octan-7-one

Structural Information

Molecular Formula
C8H12INO
SMILES
C1CC2(C1)CC(=O)NC2CI
InChI
InChI=1S/C8H12INO/c9-5-6-8(2-1-3-8)4-7(11)10-6/h6H,1-5H2,(H,10,11)
InChIKey
SYRUCNLRUFLWNE-UHFFFAOYSA-N
Compound name
5-(iodomethyl)-6-azaspiro[3.4]octan-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.99637 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.00365 136.1
[M+Na]+ 287.98559 135.5
[M-H]- 263.98909 132.4
[M+NH4]+ 283.03019 148.1
[M+K]+ 303.95953 141.3
[M+H-H2O]+ 247.99363 123.7
[M+HCOO]- 309.99457 150.0
[M+CH3COO]- 324.01022 184.6
[M+Na-2H]- 285.97104 129.0
[M]+ 264.99582 137.7
[M]- 264.99692 137.7
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.