CID 736000

(3r)-3-(propan-2-yl)piperazine-2,5-dione

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

62
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 134.7
[M+Na]+ 179.07909 141.2
[M-H]- 155.08259 132.5
[M+NH4]+ 174.12369 151.6
[M+K]+ 195.05303 138.7
[M+H-H2O]+ 139.08713 128.5
[M+HCOO]- 201.08807 149.7
[M+CH3COO]- 215.10372 172.1
[M+Na-2H]- 177.06454 137.2
[M]+ 156.08932 128.4
[M]- 156.09042 128.4
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