CID 2763308
2-amino-1-benzyl-4,5-dimethyl-1h-pyrrole-3-carbonitrile
Structural Information
- Molecular Formula
- C14H15N3
- SMILES
- CC1=C(N(C(=C1C#N)N)CC2=CC=CC=C2)C
- InChI
- InChI=1S/C14H15N3/c1-10-11(2)17(14(16)13(10)8-15)9-12-6-4-3-5-7-12/h3-7H,9,16H2,1-2H3
- InChIKey
- RJDOFGRDZKVLTM-UHFFFAOYSA-N
- Compound name
- 2-amino-1-benzyl-4,5-dimethylpyrrole-3-carbonitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 226.13388 | 154.3 |
[M+Na]+ | 248.11582 | 165.5 |
[M-H]- | 224.11932 | 158.6 |
[M+NH4]+ | 243.16042 | 170.9 |
[M+K]+ | 264.08976 | 159.9 |
[M+H-H2O]+ | 208.12386 | 140.1 |
[M+HCOO]- | 270.12480 | 174.5 |
[M+CH3COO]- | 284.14045 | 205.4 |
[M+Na-2H]- | 246.10127 | 155.8 |
[M]+ | 225.12605 | 149.1 |
[M]- | 225.12715 | 149.1 |