CID 294504

1,4-bis-(acetoacetyl)-piperazine

Structural Information

Molecular Formula
C12H18N2O4
SMILES
CC(=O)CC(=O)N1CCN(CC1)C(=O)CC(=O)C
InChI
InChI=1S/C12H18N2O4/c1-9(15)7-11(17)13-3-5-14(6-4-13)12(18)8-10(2)16/h3-8H2,1-2H3
InChIKey
BMBXDBNMQGCKMJ-UHFFFAOYSA-N
Compound name
1-[4-(3-oxobutanoyl)piperazin-1-yl]butane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

254.12666 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.13394 157.0
[M+Na]+ 277.11588 161.2
[M-H]- 253.11938 156.8
[M+NH4]+ 272.16048 170.7
[M+K]+ 293.08982 160.7
[M+H-H2O]+ 237.12392 149.5
[M+HCOO]- 299.12486 171.4
[M+CH3COO]- 313.14051 195.0
[M+Na-2H]- 275.10133 155.6
[M]+ 254.12611 155.6
[M]- 254.12721 155.6
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