CID 688253
5-tert-butyl-1,3-diiminoisoindoline
Structural Information
- Molecular Formula
- C12H15N3
- SMILES
- CC(C)(C)C1=CC2=C(C=C1)C(=NC2=N)N
- InChI
- InChI=1S/C12H15N3/c1-12(2,3)7-4-5-8-9(6-7)11(14)15-10(8)13/h4-6H,1-3H3,(H3,13,14,15)
- InChIKey
- QFTATDRGOXHSPJ-UHFFFAOYSA-N
- Compound name
- 5-tert-butyl-3-iminoisoindol-1-amine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 202.13388 | 145.3 |
[M+Na]+ | 224.11582 | 156.4 |
[M+NH4]+ | 219.16042 | 153.6 |
[M+K]+ | 240.08976 | 152.5 |
[M-H]- | 200.11932 | 147.6 |
[M+Na-2H]- | 222.10127 | 150.6 |
[M]+ | 201.12605 | 147.4 |
[M]- | 201.12715 | 147.4 |