CID 26608
2,3-dimethylbutanoic acid
Structural Information
- Molecular Formula
- C6H12O2
- SMILES
- CC(C)C(C)C(=O)O
- InChI
- InChI=1S/C6H12O2/c1-4(2)5(3)6(7)8/h4-5H,1-3H3,(H,7,8)
- InChIKey
- XFOASZQZPWEJAA-UHFFFAOYSA-N
- Compound name
- 2,3-dimethylbutanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 117.09101 | 124.7 |
[M+Na]+ | 139.07295 | 133.9 |
[M+NH4]+ | 134.11755 | 132.0 |
[M+K]+ | 155.04689 | 130.6 |
[M-H]- | 115.07645 | 123.0 |
[M+Na-2H]- | 137.05840 | 127.1 |
[M]+ | 116.08318 | 125.2 |
[M]- | 116.08428 | 125.2 |