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]+ 157.097146 133.6
[M+Na]+ 179.079088 141.3
[M-H]- 155.082594 131.8
[M+NH4]+ 174.123693 152.7
[M+K]+ 195.053028 138.7
[M+H-H2O]+ 139.087130 128.3
[M+HCOO]- 201.088071 149.7
[M+CH3COO]- 215.103721 170.7
[M+Na-2H]- 177.064536 138.7
[M]+ 156.08932142 128.4
[M]- 156.09041858 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.