CID 785242
1,3-dioxolane-4,5-dimethanol, 2,2-dimethyl-, (4s,5s)-
Structural Information
- Molecular Formula
- C7H14O4
- SMILES
- CC1(O[C@H]([C@@H](O1)CO)CO)C
- InChI
- InChI=1S/C7H14O4/c1-7(2)10-5(3-8)6(4-9)11-7/h5-6,8-9H,3-4H2,1-2H3/t5-,6-/m0/s1
- InChIKey
- INVRLGIKFANLFP-WDSKDSINSA-N
- Compound name
- [(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 163.09648 | 131.6 |
[M+Na]+ | 185.07842 | 139.5 |
[M-H]- | 161.08192 | 134.1 |
[M+NH4]+ | 180.12302 | 152.5 |
[M+K]+ | 201.05236 | 140.7 |
[M+H-H2O]+ | 145.08646 | 128.5 |
[M+HCOO]- | 207.08740 | 150.5 |
[M+CH3COO]- | 221.10305 | 171.1 |
[M+Na-2H]- | 183.06387 | 137.9 |
[M]+ | 162.08865 | 133.0 |
[M]- | 162.08975 | 133.0 |