CID 208365

3-benzyl-5-ethyl-5-nitrotetrahydro-2h-1,3-oxazine hydrochloride

Structural Information

Molecular Formula
C13H18N2O3
SMILES
CCC1(CN(COC1)CC2=CC=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H18N2O3/c1-2-13(15(16)17)9-14(11-18-10-13)8-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3
InChIKey
AKOACSDDMZJNQA-UHFFFAOYSA-N
Compound name
3-benzyl-5-ethyl-5-nitro-1,3-oxazinane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

250.13174 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.13902 156.3
[M+Na]+ 273.12096 169.4
[M+NH4]+ 268.16556 165.7
[M+K]+ 289.09490 163.6
[M-H]- 249.12446 162.3
[M+Na-2H]- 271.10641 164.3
[M]+ 250.13119 159.9
[M]- 250.13229 159.9
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.