CID 11052552
7168-93-6
Structural Information
- Molecular Formula
- C9H8O5
- SMILES
- COC1=CC2=C(C=C1C(=O)O)OCO2
- InChI
- InChI=1S/C9H8O5/c1-12-6-3-8-7(13-4-14-8)2-5(6)9(10)11/h2-3H,4H2,1H3,(H,10,11)
- InChIKey
- KISJQBUVHAHZFD-UHFFFAOYSA-N
- Compound name
- 6-methoxy-1,3-benzodioxole-5-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 197.04445 | 135.7 |
[M+Na]+ | 219.02639 | 144.7 |
[M-H]- | 195.02989 | 140.8 |
[M+NH4]+ | 214.07099 | 154.7 |
[M+K]+ | 235.00033 | 145.9 |
[M+H-H2O]+ | 179.03443 | 131.2 |
[M+HCOO]- | 241.03537 | 156.4 |
[M+CH3COO]- | 255.05102 | 179.5 |
[M+Na-2H]- | 217.01184 | 142.7 |
[M]+ | 196.03662 | 139.9 |
[M]- | 196.03772 | 139.9 |