CID 1236449
112809-54-8
Structural Information
- Molecular Formula
- C11H9N3
- SMILES
- C1=CC(=CC=C1CN2C=CN=C2)C#N
- InChI
- InChI=1S/C11H9N3/c12-7-10-1-3-11(4-2-10)8-14-6-5-13-9-14/h1-6,9H,8H2
- InChIKey
- LUSFCTSUDCCYLQ-UHFFFAOYSA-N
- Compound name
- 4-(imidazol-1-ylmethyl)benzonitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 184.08693 | 138.7 |
[M+Na]+ | 206.06887 | 149.3 |
[M-H]- | 182.07237 | 141.2 |
[M+NH4]+ | 201.11347 | 155.2 |
[M+K]+ | 222.04281 | 144.4 |
[M+H-H2O]+ | 166.07691 | 123.4 |
[M+HCOO]- | 228.07785 | 158.2 |
[M+CH3COO]- | 242.09350 | 150.4 |
[M+Na-2H]- | 204.05432 | 144.4 |
[M]+ | 183.07910 | 133.4 |
[M]- | 183.08020 | 133.4 |