CID 2759891
198476-21-0
Structural Information
- Molecular Formula
- C9H7NO2
- SMILES
- COC(=O)C1=CC=C(C=C1)[N+]#[C-]
- InChI
- InChI=1S/C9H7NO2/c1-10-8-5-3-7(4-6-8)9(11)12-2/h3-6H,2H3
- InChIKey
- CFMGUIWIJXYCCS-UHFFFAOYSA-N
- Compound name
- methyl 4-isocyanobenzoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 162.05496 | 138.7 |
[M+Na]+ | 184.03690 | 148.7 |
[M-H]- | 160.04040 | 141.0 |
[M+NH4]+ | 179.08150 | 156.6 |
[M+K]+ | 200.01084 | 141.3 |
[M+H-H2O]+ | 144.04494 | 131.4 |
[M+HCOO]- | 206.04588 | 158.4 |
[M+CH3COO]- | 220.06153 | 180.8 |
[M+Na-2H]- | 182.02235 | 145.0 |
[M]+ | 161.04713 | 131.8 |
[M]- | 161.04823 | 131.8 |
Literature stripe
No literature data available for this compound.