CID 13234
2-methyl-2-phenylbutanoic acid
Structural Information
- Molecular Formula
- C11H14O2
- SMILES
- CCC(C)(C1=CC=CC=C1)C(=O)O
- InChI
- InChI=1S/C11H14O2/c1-3-11(2,10(12)13)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3,(H,12,13)
- InChIKey
- IDZLDUPVMGWZLD-UHFFFAOYSA-N
- Compound name
- 2-methyl-2-phenylbutanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 179.10666 | 138.8 |
[M+Na]+ | 201.08860 | 145.4 |
[M-H]- | 177.09210 | 141.1 |
[M+NH4]+ | 196.13320 | 158.2 |
[M+K]+ | 217.06254 | 143.5 |
[M+H-H2O]+ | 161.09664 | 133.7 |
[M+HCOO]- | 223.09758 | 159.4 |
[M+CH3COO]- | 237.11323 | 179.0 |
[M+Na-2H]- | 199.07405 | 145.0 |
[M]+ | 178.09883 | 138.7 |
[M]- | 178.09993 | 138.7 |