CID 361889

1,4-diallyl-2,3,5,6-piperazinetetrone

Structural Information

Molecular Formula
C10H10N2O4
SMILES
C=CCN1C(=O)C(=O)N(C(=O)C1=O)CC=C
InChI
InChI=1S/C10H10N2O4/c1-3-5-11-7(13)9(15)12(6-4-2)10(16)8(11)14/h3-4H,1-2,5-6H2
InChIKey
JMSZMHHDUDZALN-UHFFFAOYSA-N
Compound name
1,4-bis(prop-2-enyl)piperazine-2,3,5,6-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

213
Patents

222.06406 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.07134 143.1
[M+Na]+ 245.05328 153.2
[M-H]- 221.05678 144.4
[M+NH4]+ 240.09788 159.3
[M+K]+ 261.02722 150.0
[M+H-H2O]+ 205.06132 136.7
[M+HCOO]- 267.06226 162.4
[M+CH3COO]- 281.07791 190.2
[M+Na-2H]- 243.03873 144.8
[M]+ 222.06351 143.8
[M]- 222.06461 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

No literature data available for this compound.

Patent stripe

patents stripe