CID 616702
4-iodo-1,3,5-trimethyl-1h-pyrazole
Structural Information
- Molecular Formula
- C6H9IN2
- SMILES
- CC1=C(C(=NN1C)C)I
- InChI
- InChI=1S/C6H9IN2/c1-4-6(7)5(2)9(3)8-4/h1-3H3
- InChIKey
- RUOGLHMRBURIEQ-UHFFFAOYSA-N
- Compound name
- 4-iodo-1,3,5-trimethylpyrazole
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 236.98833 | 127.3 |
[M+Na]+ | 258.97027 | 131.5 |
[M-H]- | 234.97377 | 122.5 |
[M+NH4]+ | 254.01487 | 144.6 |
[M+K]+ | 274.94421 | 136.0 |
[M+H-H2O]+ | 218.97831 | 118.1 |
[M+HCOO]- | 280.97925 | 145.9 |
[M+CH3COO]- | 294.99490 | 183.0 |
[M+Na-2H]- | 256.95572 | 120.8 |
[M]+ | 235.98050 | 126.7 |
[M]- | 235.98160 | 126.7 |
Literature stripe
No literature data available for this compound.