CID 99713738
1807939-93-0
Structural Information
- Molecular Formula
- C11H15N3O3
- SMILES
- CN1[C@@H]([C@H](CCC1=O)C(=O)O)C2=CC=NN2C
- InChI
- InChI=1S/C11H15N3O3/c1-13-9(15)4-3-7(11(16)17)10(13)8-5-6-12-14(8)2/h5-7,10H,3-4H2,1-2H3,(H,16,17)/t7-,10-/m0/s1
- InChIKey
- JORYJBDPEUADQO-XVKPBYJWSA-N
- Compound name
- (2S,3S)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidine-3-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 238.11862 | 154.4 |
[M+Na]+ | 260.10056 | 164.7 |
[M+NH4]+ | 255.14516 | 159.8 |
[M+K]+ | 276.07450 | 162.7 |
[M-H]- | 236.10406 | 154.0 |
[M+Na-2H]- | 258.08601 | 157.4 |
[M]+ | 237.11079 | 155.3 |
[M]- | 237.11189 | 155.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.