CID 774369
14463-79-7
Structural Information
- Molecular Formula
- C12H11NO4
- SMILES
- CC(C)(C(=O)O)N1C(=O)C2=CC=CC=C2C1=O
- InChI
- InChI=1S/C12H11NO4/c1-12(2,11(16)17)13-9(14)7-5-3-4-6-8(7)10(13)15/h3-6H,1-2H3,(H,16,17)
- InChIKey
- FPOSIYHINNEBSP-UHFFFAOYSA-N
- Compound name
- 2-(1,3-dioxoisoindol-2-yl)-2-methylpropanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 234.07608 | 148.6 |
[M+Na]+ | 256.05802 | 158.0 |
[M-H]- | 232.06152 | 151.2 |
[M+NH4]+ | 251.10262 | 167.6 |
[M+K]+ | 272.03196 | 155.4 |
[M+H-H2O]+ | 216.06606 | 143.7 |
[M+HCOO]- | 278.06700 | 167.4 |
[M+CH3COO]- | 292.08265 | 188.6 |
[M+Na-2H]- | 254.04347 | 152.5 |
[M]+ | 233.06825 | 150.2 |
[M]- | 233.06935 | 150.2 |