CID 197777
Gemedine
Structural Information
- Molecular Formula
- C9H20N4
- SMILES
- C1CCCN(CC1)CCN=C(N)N
- InChI
- InChI=1S/C9H20N4/c10-9(11)12-5-8-13-6-3-1-2-4-7-13/h1-8H2,(H4,10,11,12)
- InChIKey
- QADKYECOIABVIL-UHFFFAOYSA-N
- Compound name
- 2-[2-(azepan-1-yl)ethyl]guanidine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 185.17608 | 140.5 |
[M+Na]+ | 207.15802 | 141.2 |
[M-H]- | 183.16152 | 143.0 |
[M+NH4]+ | 202.20262 | 156.5 |
[M+K]+ | 223.13196 | 145.0 |
[M+H-H2O]+ | 167.16606 | 131.9 |
[M+HCOO]- | 229.16700 | 161.0 |
[M+CH3COO]- | 243.18265 | 191.7 |
[M+Na-2H]- | 205.14347 | 143.6 |
[M]+ | 184.16825 | 130.1 |
[M]- | 184.16935 | 130.1 |
Literature stripe
No literature data available for this compound.