CID 96225
3993-43-9
Structural Information
- Molecular Formula
- C14H14O3
- SMILES
- CC1=CC(=O)OC2=C1C=CC(=C2C)OCC=C
- InChI
- InChI=1S/C14H14O3/c1-4-7-16-12-6-5-11-9(2)8-13(15)17-14(11)10(12)3/h4-6,8H,1,7H2,2-3H3
- InChIKey
- CWBNOQSQEHMTNZ-UHFFFAOYSA-N
- Compound name
- 4,8-dimethyl-7-prop-2-enoxychromen-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 231.10158 | 147.2 |
[M+Na]+ | 253.08352 | 158.3 |
[M-H]- | 229.08702 | 153.5 |
[M+NH4]+ | 248.12812 | 166.0 |
[M+K]+ | 269.05746 | 156.0 |
[M+H-H2O]+ | 213.09156 | 141.2 |
[M+HCOO]- | 275.09250 | 170.2 |
[M+CH3COO]- | 289.10815 | 193.1 |
[M+Na-2H]- | 251.06897 | 154.3 |
[M]+ | 230.09375 | 152.9 |
[M]- | 230.09485 | 152.9 |