CID 459770
Isoquinoline-5-carbonitrile
Structural Information
- Molecular Formula
- C10H6N2
- SMILES
- C1=CC2=C(C=CN=C2)C(=C1)C#N
- InChI
- InChI=1S/C10H6N2/c11-6-8-2-1-3-9-7-12-5-4-10(8)9/h1-5,7H
- InChIKey
- XVJDHUCBVHTPGE-UHFFFAOYSA-N
- Compound name
- isoquinoline-5-carbonitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 155.06038 | 131.8 |
[M+Na]+ | 177.04232 | 143.5 |
[M-H]- | 153.04582 | 134.4 |
[M+NH4]+ | 172.08692 | 150.5 |
[M+K]+ | 193.01626 | 138.1 |
[M+H-H2O]+ | 137.05036 | 118.8 |
[M+HCOO]- | 199.05130 | 151.0 |
[M+CH3COO]- | 213.06695 | 144.3 |
[M+Na-2H]- | 175.02777 | 141.2 |
[M]+ | 154.05255 | 126.5 |
[M]- | 154.05365 | 126.5 |