CID 43470335
1-{5h,6h,7h,8h,9h-[1,2,4]triazolo[4,3-a]azepin-3-yl}propan-1-amine
Structural Information
- Molecular Formula
- C10H18N4
- SMILES
- CCC(C1=NN=C2N1CCCCC2)N
- InChI
- InChI=1S/C10H18N4/c1-2-8(11)10-13-12-9-6-4-3-5-7-14(9)10/h8H,2-7,11H2,1H3
- InChIKey
- VYBXHVUUKWBHOU-UHFFFAOYSA-N
- Compound name
- 1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)propan-1-amine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 195.16043 | 142.1 |
[M+Na]+ | 217.14237 | 147.2 |
[M-H]- | 193.14587 | 143.1 |
[M+NH4]+ | 212.18697 | 158.6 |
[M+K]+ | 233.11631 | 148.3 |
[M+H-H2O]+ | 177.15041 | 132.6 |
[M+HCOO]- | 239.15135 | 159.1 |
[M+CH3COO]- | 253.16700 | 152.7 |
[M+Na-2H]- | 215.12782 | 145.6 |
[M]+ | 194.15260 | 135.8 |
[M]- | 194.15370 | 135.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.