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

compound 2d structure
1
Annotation Hits

1
References

6
Patents

184.12119 Da
Monoisotopic Mass

0.8
XlogP (predicted)

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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe