CID 13788491

6-(iodomethyl)-1,3-oxazinan-2-one

Structural Information

Molecular Formula
C5H8INO2
SMILES
C1CNC(=O)OC1CI
InChI
InChI=1S/C5H8INO2/c6-3-4-1-2-7-5(8)9-4/h4H,1-3H2,(H,7,8)
InChIKey
XNBVRUAGLFOHKW-UHFFFAOYSA-N
Compound name
6-(iodomethyl)-1,3-oxazinan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.95998 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.96726 134.4
[M+Na]+ 263.94920 134.0
[M-H]- 239.95270 128.6
[M+NH4]+ 258.99380 148.0
[M+K]+ 279.92314 139.5
[M+H-H2O]+ 223.95724 125.0
[M+HCOO]- 285.95818 147.8
[M+CH3COO]- 299.97383 176.7
[M+Na-2H]- 261.93465 128.8
[M]+ 240.95943 128.1
[M]- 240.96053 128.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.