CID 71359704
35590-69-3
Structural Information
- Molecular Formula
- C9H16N2O2
- SMILES
- CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N1)C
- InChI
- InChI=1S/C9H16N2O2/c1-4-5(2)7-9(13)10-6(3)8(12)11-7/h5-7H,4H2,1-3H3,(H,10,13)(H,11,12)/t5-,6-,7-/m0/s1
- InChIKey
- JDRIJDPCYNFZIT-ACZMJKKPSA-N
- Compound name
- (3S,6S)-3-[(2S)-butan-2-yl]-6-methylpiperazine-2,5-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 185.12847 | 143.4 |
[M+Na]+ | 207.11041 | 152.9 |
[M+NH4]+ | 202.15501 | 149.2 |
[M+K]+ | 223.08435 | 148.8 |
[M-H]- | 183.11391 | 141.9 |
[M+Na-2H]- | 205.09586 | 145.0 |
[M]+ | 184.12064 | 143.8 |
[M]- | 184.12174 | 143.8 |