CID 80922
3,4,5-trimethoxytoluene
Structural Information
- Molecular Formula
- C10H14O3
- SMILES
- CC1=CC(=C(C(=C1)OC)OC)OC
- InChI
- InChI=1S/C10H14O3/c1-7-5-8(11-2)10(13-4)9(6-7)12-3/h5-6H,1-4H3
- InChIKey
- KCIZTNZGSBSSRM-UHFFFAOYSA-N
- Compound name
- 1,2,3-trimethoxy-5-methylbenzene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 183.10158 | 136.8 |
[M+Na]+ | 205.08352 | 150.4 |
[M+NH4]+ | 200.12812 | 145.3 |
[M+K]+ | 221.05746 | 144.3 |
[M-H]- | 181.08702 | 138.9 |
[M+Na-2H]- | 203.06897 | 143.5 |
[M]+ | 182.09375 | 139.4 |
[M]- | 182.09485 | 139.4 |