CID 116489834
3-cyclobutanecarbonyl-4h-1,2,4-triazole
Structural Information
- Molecular Formula
- C7H9N3O
- SMILES
- C1CC(C1)C(=O)C2=NC=NN2
- InChI
- InChI=1S/C7H9N3O/c11-6(5-2-1-3-5)7-8-4-9-10-7/h4-5H,1-3H2,(H,8,9,10)
- InChIKey
- JDIHQBZDYPUNFB-UHFFFAOYSA-N
- Compound name
- cyclobutyl(1H-1,2,4-triazol-5-yl)methanone
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 152.08183 | 129.1 |
[M+Na]+ | 174.06377 | 135.0 |
[M-H]- | 150.06727 | 130.2 |
[M+NH4]+ | 169.10837 | 140.4 |
[M+K]+ | 190.03771 | 136.1 |
[M+H-H2O]+ | 134.07181 | 116.1 |
[M+HCOO]- | 196.07275 | 147.2 |
[M+CH3COO]- | 210.08840 | 174.9 |
[M+Na-2H]- | 172.04922 | 133.6 |
[M]+ | 151.07400 | 134.5 |
[M]- | 151.07510 | 134.5 |
Literature stripe
No literature data available for this compound.