CID 59435429
1-ethyl-5-iodo-4-methyl-1h-pyrazole
Structural Information
- Molecular Formula
- C6H9IN2
- SMILES
- CCN1C(=C(C=N1)C)I
- InChI
- InChI=1S/C6H9IN2/c1-3-9-6(7)5(2)4-8-9/h4H,3H2,1-2H3
- InChIKey
- LFNCYQUIPWZKQI-UHFFFAOYSA-N
- Compound name
- 1-ethyl-5-iodo-4-methylpyrazole
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 236.98833 | 128.6 |
[M+Na]+ | 258.97027 | 131.8 |
[M-H]- | 234.97377 | 123.4 |
[M+NH4]+ | 254.01487 | 145.5 |
[M+K]+ | 274.94421 | 136.3 |
[M+H-H2O]+ | 218.97831 | 118.9 |
[M+HCOO]- | 280.97925 | 147.1 |
[M+CH3COO]- | 294.99490 | 182.0 |
[M+Na-2H]- | 256.95572 | 122.5 |
[M]+ | 235.98050 | 127.6 |
[M]- | 235.98160 | 127.6 |
Literature stripe
No literature data available for this compound.