CID 522067
2-methyladipic acid
Structural Information
- Molecular Formula
- C7H12O4
- SMILES
- CC(CCCC(=O)O)C(=O)O
- InChI
- InChI=1S/C7H12O4/c1-5(7(10)11)3-2-4-6(8)9/h5H,2-4H2,1H3,(H,8,9)(H,10,11)
- InChIKey
- JZUMVFMLJGSMRF-UHFFFAOYSA-N
- Compound name
- 2-methylhexanedioic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 161.08084 | 134.6 |
[M+Na]+ | 183.06278 | 142.0 |
[M+NH4]+ | 178.10738 | 139.8 |
[M+K]+ | 199.03672 | 139.8 |
[M-H]- | 159.06628 | 130.8 |
[M+Na-2H]- | 181.04823 | 135.0 |
[M]+ | 160.07301 | 134.0 |
[M]- | 160.07411 | 134.0 |