CID 208363

32051-36-8

Structural Information

Molecular Formula
C12H16N2O3
SMILES
CC1(CN(COC1)CC2=CC=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C12H16N2O3/c1-12(14(15)16)8-13(10-17-9-12)7-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3
InChIKey
BNSGAWSGAXBPGH-UHFFFAOYSA-N
Compound name
3-benzyl-5-methyl-5-nitro-1,3-oxazinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

236.11609 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.123366 152.2
[M+Na]+ 259.105308 157.0
[M-H]- 235.108814 157.6
[M+NH4]+ 254.149913 167.9
[M+K]+ 275.079248 152.2
[M+H-H2O]+ 219.113350 149.0
[M+HCOO]- 281.114291 172.1
[M+CH3COO]- 295.129941 184.0
[M+Na-2H]- 257.090756 160.8
[M]+ 236.11554142 148.4
[M]- 236.11663858 148.4
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.