CID 130004947

(3s)-3-ethyl-3-methylpiperazine-2,5-dione

Structural Information

Molecular Formula
C7H12N2O2
SMILES
CC[C@]1(C(=O)NCC(=O)N1)C
InChI
InChI=1S/C7H12N2O2/c1-3-7(2)6(11)8-4-5(10)9-7/h3-4H2,1-2H3,(H,8,11)(H,9,10)/t7-/m0/s1
InChIKey
GIQOYTYFMIJZEQ-ZETCQYMHSA-N
Compound name
(3S)-3-ethyl-3-methylpiperazine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.08987 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.09715 133.6
[M+Na]+ 179.07909 141.3
[M-H]- 155.08259 131.8
[M+NH4]+ 174.12369 152.7
[M+K]+ 195.05303 138.7
[M+H-H2O]+ 139.08713 128.3
[M+HCOO]- 201.08807 149.7
[M+CH3COO]- 215.10372 170.7
[M+Na-2H]- 177.06454 138.7
[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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.