CID 33293
26078-24-0
Structural Information
- Molecular Formula
- C12H13NO2
- SMILES
- CC1=CC2=C(C=C1NC)OC(=O)C=C2C
- InChI
- InChI=1S/C12H13NO2/c1-7-5-12(14)15-11-6-10(13-3)8(2)4-9(7)11/h4-6,13H,1-3H3
- InChIKey
- RIZOSFDXIXBLIP-UHFFFAOYSA-N
- Compound name
- 4,6-dimethyl-7-(methylamino)chromen-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 204.10192 | 141.3 |
[M+Na]+ | 226.08386 | 152.2 |
[M-H]- | 202.08736 | 147.8 |
[M+NH4]+ | 221.12846 | 161.0 |
[M+K]+ | 242.05780 | 150.3 |
[M+H-H2O]+ | 186.09190 | 135.4 |
[M+HCOO]- | 248.09284 | 165.5 |
[M+CH3COO]- | 262.10849 | 190.7 |
[M+Na-2H]- | 224.06931 | 149.6 |
[M]+ | 203.09409 | 144.8 |
[M]- | 203.09519 | 144.8 |