CID 75525
2436-29-5
Structural Information
- Molecular Formula
- C11H9NO3
- SMILES
- C1=CC=C2C(=C1)C(=O)N(C2=O)CCC=O
- InChI
- InChI=1S/C11H9NO3/c13-7-3-6-12-10(14)8-4-1-2-5-9(8)11(12)15/h1-2,4-5,7H,3,6H2
- InChIKey
- IBSDSIHTMABATG-UHFFFAOYSA-N
- Compound name
- 3-(1,3-dioxoisoindol-2-yl)propanal
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 204.06552 | 140.1 |
[M+Na]+ | 226.04746 | 150.5 |
[M-H]- | 202.05096 | 143.9 |
[M+NH4]+ | 221.09206 | 161.1 |
[M+K]+ | 242.02140 | 147.4 |
[M+H-H2O]+ | 186.05550 | 134.2 |
[M+HCOO]- | 248.05644 | 163.2 |
[M+CH3COO]- | 262.07209 | 184.7 |
[M+Na-2H]- | 224.03291 | 145.0 |
[M]+ | 203.05769 | 142.8 |
[M]- | 203.05879 | 142.8 |