CID 103452718
1-(3-methylphenyl)butane-2,3-diol
Structural Information
- Molecular Formula
- C11H16O2
- SMILES
- CC1=CC(=CC=C1)CC(C(C)O)O
- InChI
- InChI=1S/C11H16O2/c1-8-4-3-5-10(6-8)7-11(13)9(2)12/h3-6,9,11-13H,7H2,1-2H3
- InChIKey
- USBZRVQRZDNYSI-UHFFFAOYSA-N
- Compound name
- 1-(3-methylphenyl)butane-2,3-diol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 181.12232 | 140.9 |
[M+Na]+ | 203.10426 | 146.9 |
[M-H]- | 179.10776 | 141.8 |
[M+NH4]+ | 198.14886 | 159.6 |
[M+K]+ | 219.07820 | 144.8 |
[M+H-H2O]+ | 163.11230 | 135.6 |
[M+HCOO]- | 225.11324 | 160.2 |
[M+CH3COO]- | 239.12889 | 179.0 |
[M+Na-2H]- | 201.08971 | 143.8 |
[M]+ | 180.11449 | 139.7 |
[M]- | 180.11559 | 139.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.