CID 472101
2-methyl-3-[2-nitro-1-(nitromethyl)ethyl]-1h-indole
Structural Information
- Molecular Formula
- C12H13N3O4
- SMILES
- CC1=C(C2=CC=CC=C2N1)C(C[N+](=O)[O-])C[N+](=O)[O-]
- InChI
- InChI=1S/C12H13N3O4/c1-8-12(9(6-14(16)17)7-15(18)19)10-4-2-3-5-11(10)13-8/h2-5,9,13H,6-7H2,1H3
- InChIKey
- OZHYPXWODJIQMS-UHFFFAOYSA-N
- Compound name
- 3-(1,3-dinitropropan-2-yl)-2-methyl-1H-indole
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 264.09788 | 158.1 |
[M+Na]+ | 286.07982 | 163.8 |
[M-H]- | 262.08332 | 160.4 |
[M+NH4]+ | 281.12442 | 173.2 |
[M+K]+ | 302.05376 | 152.6 |
[M+H-H2O]+ | 246.08786 | 160.1 |
[M+HCOO]- | 308.08880 | 181.1 |
[M+CH3COO]- | 322.10445 | 184.2 |
[M+Na-2H]- | 284.06527 | 166.1 |
[M]+ | 263.09005 | 155.7 |
[M]- | 263.09115 | 155.7 |
Literature stripe
Patent stripe
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