CID 54267465
21357-23-3
Structural Information
- Molecular Formula
- C8H10N2O
- SMILES
- C1CC2=C(C=CN2)C(=O)NC1
- InChI
- InChI=1S/C8H10N2O/c11-8-6-3-5-9-7(6)2-1-4-10-8/h3,5,9H,1-2,4H2,(H,10,11)
- InChIKey
- RHTHRCHIHDNCNA-UHFFFAOYSA-N
- Compound name
- 5,6,7,8-tetrahydro-1H-pyrrolo[3,2-c]azepin-4-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 151.08660 | 128.7 |
[M+Na]+ | 173.06854 | 137.2 |
[M+NH4]+ | 168.11314 | 135.8 |
[M+K]+ | 189.04248 | 135.3 |
[M-H]- | 149.07204 | 128.2 |
[M+Na-2H]- | 171.05399 | 132.6 |
[M]+ | 150.07877 | 129.4 |
[M]- | 150.07987 | 129.4 |