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
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 237.12337 | 151.8 |
[M+Na]+ | 259.10531 | 165.1 |
[M+NH4]+ | 254.14991 | 161.3 |
[M+K]+ | 275.07925 | 159.5 |
[M-H]- | 235.10881 | 157.9 |
[M+Na-2H]- | 257.09076 | 160.1 |
[M]+ | 236.11554 | 155.5 |
[M]- | 236.11664 | 155.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.