CID 137498769
1-butyl-5-(chloromethyl)-1h-pyrazole
Structural Information
- Molecular Formula
- C8H13ClN2
- SMILES
- CCCCN1C(=CC=N1)CCl
- InChI
- InChI=1S/C8H13ClN2/c1-2-3-6-11-8(7-9)4-5-10-11/h4-5H,2-3,6-7H2,1H3
- InChIKey
- WRIGYJDNWGXDLH-UHFFFAOYSA-N
- Compound name
- 1-butyl-5-(chloromethyl)pyrazole
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 173.08400 | 136.3 |
[M+Na]+ | 195.06594 | 145.7 |
[M-H]- | 171.06944 | 136.9 |
[M+NH4]+ | 190.11054 | 156.9 |
[M+K]+ | 211.03988 | 142.3 |
[M+H-H2O]+ | 155.07398 | 129.6 |
[M+HCOO]- | 217.07492 | 154.5 |
[M+CH3COO]- | 231.09057 | 178.9 |
[M+Na-2H]- | 193.05139 | 141.3 |
[M]+ | 172.07617 | 139.5 |
[M]- | 172.07727 | 139.5 |
Literature stripe
No literature data available for this compound.