CID 1078087
3-methyl-5-nitro-1h-indole-2-carboxylic acid
Structural Information
- Molecular Formula
- C10H8N2O4
- SMILES
- CC1=C(NC2=C1C=C(C=C2)[N+](=O)[O-])C(=O)O
- InChI
- InChI=1S/C10H8N2O4/c1-5-7-4-6(12(15)16)2-3-8(7)11-9(5)10(13)14/h2-4,11H,1H3,(H,13,14)
- InChIKey
- BUWLROXHVDVDKY-UHFFFAOYSA-N
- Compound name
- 3-methyl-5-nitro-1H-indole-2-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 221.05568 | 142.0 |
[M+Na]+ | 243.03762 | 151.2 |
[M-H]- | 219.04112 | 143.9 |
[M+NH4]+ | 238.08222 | 160.0 |
[M+K]+ | 259.01156 | 143.8 |
[M+H-H2O]+ | 203.04566 | 140.9 |
[M+HCOO]- | 265.04660 | 164.6 |
[M+CH3COO]- | 279.06225 | 177.4 |
[M+Na-2H]- | 241.02307 | 148.9 |
[M]+ | 220.04785 | 141.3 |
[M]- | 220.04895 | 141.3 |