CID 39033
N-isoamylphthalamide
Structural Information
- Molecular Formula
- C13H15NO2
- SMILES
- CC(C)CCN1C(=O)C2=CC=CC=C2C1=O
- InChI
- InChI=1S/C13H15NO2/c1-9(2)7-8-14-12(15)10-5-3-4-6-11(10)13(14)16/h3-6,9H,7-8H2,1-2H3
- InChIKey
- OXMDWHVDKVTUQL-UHFFFAOYSA-N
- Compound name
- 2-(3-methylbutyl)isoindole-1,3-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 218.11756 | 148.1 |
[M+Na]+ | 240.09950 | 157.2 |
[M-H]- | 216.10300 | 151.6 |
[M+NH4]+ | 235.14410 | 168.7 |
[M+K]+ | 256.07344 | 154.1 |
[M+H-H2O]+ | 200.10754 | 142.1 |
[M+HCOO]- | 262.10848 | 169.1 |
[M+CH3COO]- | 276.12413 | 190.4 |
[M+Na-2H]- | 238.08495 | 150.7 |
[M]+ | 217.10973 | 150.1 |
[M]- | 217.11083 | 150.1 |