CID 303581
39059-06-8
Structural Information
- Molecular Formula
- C10H11NO4
- SMILES
- C1C=CCC2C1C(=O)N(C2=O)CC(=O)O
- InChI
- InChI=1S/C10H11NO4/c12-8(13)5-11-9(14)6-3-1-2-4-7(6)10(11)15/h1-2,6-7H,3-5H2,(H,12,13)
- InChIKey
- HUBCVSQYCPCWEB-UHFFFAOYSA-N
- Compound name
- 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 210.07608 | 144.4 |
[M+Na]+ | 232.05802 | 153.5 |
[M+NH4]+ | 227.10262 | 150.8 |
[M+K]+ | 248.03196 | 151.4 |
[M-H]- | 208.06152 | 143.2 |
[M+Na-2H]- | 230.04347 | 145.5 |
[M]+ | 209.06825 | 144.8 |
[M]- | 209.06935 | 144.8 |