CID 135741817
1982213-80-8
Structural Information
- Molecular Formula
- C8H11N3O
- SMILES
- C1CNCCC2=C1C(=O)NC=N2
- InChI
- InChI=1S/C8H11N3O/c12-8-6-1-3-9-4-2-7(6)10-5-11-8/h5,9H,1-4H2,(H,10,11,12)
- InChIKey
- IQNFPZIIHKFPMG-UHFFFAOYSA-N
- Compound name
- 3,5,6,7,8,9-hexahydropyrimido[4,5-d]azepin-4-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 166.09749 | 132.0 |
[M+Na]+ | 188.07943 | 138.6 |
[M-H]- | 164.08293 | 131.0 |
[M+NH4]+ | 183.12403 | 147.2 |
[M+K]+ | 204.05337 | 138.5 |
[M+H-H2O]+ | 148.08747 | 124.1 |
[M+HCOO]- | 210.08841 | 147.1 |
[M+CH3COO]- | 224.10406 | 142.8 |
[M+Na-2H]- | 186.06488 | 139.9 |
[M]+ | 165.08966 | 123.8 |
[M]- | 165.09076 | 123.8 |
Literature stripe
No literature data available for this compound.