CID 17780173
2-(6-methyl-1,4-dioxan-2-yl)acetic acid
Structural Information
- Molecular Formula
- C7H12O4
- SMILES
- CC1COCC(O1)CC(=O)O
- InChI
- InChI=1S/C7H12O4/c1-5-3-10-4-6(11-5)2-7(8)9/h5-6H,2-4H2,1H3,(H,8,9)
- InChIKey
- DULDIFHRRJDMTR-UHFFFAOYSA-N
- Compound name
- 2-(6-methyl-1,4-dioxan-2-yl)acetic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 161.08084 | 132.3 |
[M+Na]+ | 183.06278 | 142.2 |
[M+NH4]+ | 178.10738 | 139.4 |
[M+K]+ | 199.03672 | 139.2 |
[M-H]- | 159.06628 | 134.9 |
[M+Na-2H]- | 181.04823 | 134.8 |
[M]+ | 160.07301 | 134.1 |
[M]- | 160.07411 | 134.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.