CID 657436
63446-38-8
Structural Information
- Molecular Formula
- C8H10N2O
- SMILES
- CC1=C2C(=NN1)CCCC2=O
- InChI
- InChI=1S/C8H10N2O/c1-5-8-6(10-9-5)3-2-4-7(8)11/h2-4H2,1H3,(H,9,10)
- InChIKey
- VROXGINCMQLXRS-UHFFFAOYSA-N
- Compound name
- 3-methyl-2,5,6,7-tetrahydroindazol-4-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 151.08660 | 131.0 |
[M+Na]+ | 173.06854 | 142.7 |
[M+NH4]+ | 168.11314 | 139.5 |
[M+K]+ | 189.04248 | 138.6 |
[M-H]- | 149.07204 | 131.5 |
[M+Na-2H]- | 171.05399 | 135.3 |
[M]+ | 150.07877 | 132.5 |
[M]- | 150.07987 | 132.5 |