CID 736000

143673-66-9

Structural Information

Molecular Formula
C7H12N2O2
SMILES
CC(C)[C@@H]1C(=O)NCC(=O)N1
InChI
InChI=1S/C7H12N2O2/c1-4(2)6-7(11)8-3-5(10)9-6/h4,6H,3H2,1-2H3,(H,8,11)(H,9,10)/t6-/m1/s1
InChIKey
IULFBTHVPRNQCG-ZCFIWIBFSA-N
Compound name
(3R)-3-propan-2-ylpiperazine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

156.08987 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.09715 134.8
[M+Na]+ 179.07909 144.4
[M+NH4]+ 174.12369 140.9
[M+K]+ 195.05303 140.5
[M-H]- 155.08259 133.3
[M+Na-2H]- 177.06454 137.1
[M]+ 156.08932 135.2
[M]- 156.09042 135.2
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