CID 16774372

4-[4-(aminomethyl)benzoyl]piperazin-2-one

Structural Information

Molecular Formula
C12H15N3O2
SMILES
C1CN(CC(=O)N1)C(=O)C2=CC=C(C=C2)CN
InChI
InChI=1S/C12H15N3O2/c13-7-9-1-3-10(4-2-9)12(17)15-6-5-14-11(16)8-15/h1-4H,5-8,13H2,(H,14,16)
InChIKey
BZJHVVHXCYWYCM-UHFFFAOYSA-N
Compound name
4-[4-(aminomethyl)benzoyl]piperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.11642 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.123696 153.8
[M+Na]+ 256.105638 159.1
[M-H]- 232.109144 155.4
[M+NH4]+ 251.150243 167.3
[M+K]+ 272.079578 155.0
[M+H-H2O]+ 216.113680 145.2
[M+HCOO]- 278.114621 170.6
[M+CH3COO]- 292.130271 189.3
[M+Na-2H]- 254.091086 156.3
[M]+ 233.11587142 146.9
[M]- 233.11696858 146.9
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.