CID 14147337
2-(3-methyl-4-nitrophenyl)acetonitrile
Structural Information
- Molecular Formula
- C9H8N2O2
- SMILES
- CC1=C(C=CC(=C1)CC#N)[N+](=O)[O-]
- InChI
- InChI=1S/C9H8N2O2/c1-7-6-8(4-5-10)2-3-9(7)11(12)13/h2-3,6H,4H2,1H3
- InChIKey
- TZKDDKCXHPQTSC-UHFFFAOYSA-N
- Compound name
- 2-(3-methyl-4-nitrophenyl)acetonitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 177.06586 | 140.7 |
[M+Na]+ | 199.04780 | 150.6 |
[M-H]- | 175.05130 | 144.3 |
[M+NH4]+ | 194.09240 | 158.3 |
[M+K]+ | 215.02174 | 144.5 |
[M+H-H2O]+ | 159.05584 | 132.7 |
[M+HCOO]- | 221.05678 | 162.4 |
[M+CH3COO]- | 235.07243 | 189.0 |
[M+Na-2H]- | 197.03325 | 147.1 |
[M]+ | 176.05803 | 135.1 |
[M]- | 176.05913 | 135.1 |
Literature stripe
No literature data available for this compound.