CID 79787723
3-iodo-1-pentyl-1h-pyrazole
Structural Information
- Molecular Formula
- C8H13IN2
- SMILES
- CCCCCN1C=CC(=N1)I
- InChI
- InChI=1S/C8H13IN2/c1-2-3-4-6-11-7-5-8(9)10-11/h5,7H,2-4,6H2,1H3
- InChIKey
- WEGVEZPAVZHBND-UHFFFAOYSA-N
- Compound name
- 3-iodo-1-pentylpyrazole
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 265.01964 | 139.4 |
[M+Na]+ | 287.00158 | 140.9 |
[M-H]- | 263.00508 | 133.4 |
[M+NH4]+ | 282.04618 | 154.9 |
[M+K]+ | 302.97552 | 144.9 |
[M+H-H2O]+ | 247.00962 | 128.9 |
[M+HCOO]- | 309.01056 | 157.2 |
[M+CH3COO]- | 323.02621 | 186.6 |
[M+Na-2H]- | 284.98703 | 132.8 |
[M]+ | 264.01181 | 138.7 |
[M]- | 264.01291 | 138.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.