CID 85786687
34155-92-5
Structural Information
- Molecular Formula
- C12H14O2
- SMILES
- COC1=CC(=CC(=C1)CCC#C)OC
- InChI
- InChI=1S/C12H14O2/c1-4-5-6-10-7-11(13-2)9-12(8-10)14-3/h1,7-9H,5-6H2,2-3H3
- InChIKey
- MASRLEYYPNMYPS-UHFFFAOYSA-N
- Compound name
- 1-but-3-ynyl-3,5-dimethoxybenzene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 191.10666 | 139.4 |
[M+Na]+ | 213.08860 | 150.2 |
[M-H]- | 189.09210 | 141.9 |
[M+NH4]+ | 208.13320 | 157.5 |
[M+K]+ | 229.06254 | 146.6 |
[M+H-H2O]+ | 173.09664 | 127.9 |
[M+HCOO]- | 235.09758 | 157.9 |
[M+CH3COO]- | 249.11323 | 192.8 |
[M+Na-2H]- | 211.07405 | 144.1 |
[M]+ | 190.09883 | 137.8 |
[M]- | 190.09993 | 137.8 |
Literature stripe
Patent stripe
No patent data available for this compound.