CID 98905
Methyl 9-anthracenecarboxylate
Structural Information
- Molecular Formula
- C16H12O2
- SMILES
- COC(=O)C1=C2C=CC=CC2=CC3=CC=CC=C31
- InChI
- InChI=1S/C16H12O2/c1-18-16(17)15-13-8-4-2-6-11(13)10-12-7-3-5-9-14(12)15/h2-10H,1H3
- InChIKey
- PHOYNPDEAQEHQR-UHFFFAOYSA-N
- Compound name
- methyl anthracene-9-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 237.09100 | 149.8 |
[M+Na]+ | 259.07294 | 159.7 |
[M-H]- | 235.07644 | 155.9 |
[M+NH4]+ | 254.11754 | 169.8 |
[M+K]+ | 275.04688 | 155.5 |
[M+H-H2O]+ | 219.08098 | 142.8 |
[M+HCOO]- | 281.08192 | 172.6 |
[M+CH3COO]- | 295.09757 | 163.4 |
[M+Na-2H]- | 257.05839 | 158.9 |
[M]+ | 236.08317 | 153.2 |
[M]- | 236.08427 | 153.2 |