CID 28410929
4-(1,4-diazepan-1-yl)benzonitrile
Structural Information
- Molecular Formula
- C12H15N3
- SMILES
- C1CNCCN(C1)C2=CC=C(C=C2)C#N
- InChI
- InChI=1S/C12H15N3/c13-10-11-2-4-12(5-3-11)15-8-1-6-14-7-9-15/h2-5,14H,1,6-9H2
- InChIKey
- ZWFKQDNBYURKLD-UHFFFAOYSA-N
- Compound name
- 4-(1,4-diazepan-1-yl)benzonitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 202.13388 | 150.9 |
[M+Na]+ | 224.11582 | 160.8 |
[M+NH4]+ | 219.16042 | 155.0 |
[M+K]+ | 240.08976 | 152.4 |
[M-H]- | 200.11932 | 146.6 |
[M+Na-2H]- | 222.10127 | 155.0 |
[M]+ | 201.12605 | 150.2 |
[M]- | 201.12715 | 150.2 |
Literature stripe
No literature data available for this compound.