CID 4001236
108722-47-0
Structural Information
- Molecular Formula
- C12H13N2
- SMILES
- C1=CC=C(C=C1)C[N+]2=CC=C(C=C2)N
- InChI
- InChI=1S/C12H12N2/c13-12-6-8-14(9-7-12)10-11-4-2-1-3-5-11/h1-9,13H,10H2/p+1
- InChIKey
- KHFPLJSUSKBXHP-UHFFFAOYSA-O
- Compound name
- 1-benzylpyridin-1-ium-4-amine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 186.11516 | 140.9 |
[M+Na]+ | 208.09710 | 148.4 |
[M-H]- | 184.10060 | 146.2 |
[M+NH4]+ | 203.14170 | 158.5 |
[M+K]+ | 224.07104 | 138.9 |
[M+H-H2O]+ | 168.10514 | 135.9 |
[M+HCOO]- | 230.10608 | 164.8 |
[M+CH3COO]- | 244.12173 | 177.3 |
[M+Na-2H]- | 206.08255 | 151.0 |
[M]+ | 185.10733 | 137.4 |
[M]- | 185.10843 | 137.4 |
Literature stripe
No literature data available for this compound.