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

0
Patents

236.11609 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.12337 152.2
[M+Na]+ 259.10531 157.0
[M-H]- 235.10881 157.6
[M+NH4]+ 254.14991 167.9
[M+K]+ 275.07925 152.2
[M+H-H2O]+ 219.11335 149.0
[M+HCOO]- 281.11429 172.1
[M+CH3COO]- 295.12994 184.0
[M+Na-2H]- 257.09076 160.8
[M]+ 236.11554 148.4
[M]- 236.11664 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.