CID 208365

32051-37-9

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

128
Patents

250.13174 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.139016 156.9
[M+Na]+ 273.120958 161.3
[M-H]- 249.124464 162.1
[M+NH4]+ 268.165563 172.0
[M+K]+ 289.094898 156.3
[M+H-H2O]+ 233.129000 153.5
[M+HCOO]- 295.129941 176.4
[M+CH3COO]- 309.145591 187.0
[M+Na-2H]- 271.106406 165.0
[M]+ 250.13119142 153.5
[M]- 250.13228858 153.5
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.