CID 762654

1-benzoylpiperazine

Structural Information

Molecular Formula
C11H14N2O
SMILES
C1CN(CCN1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C11H14N2O/c14-11(10-4-2-1-3-5-10)13-8-6-12-7-9-13/h1-5,12H,6-9H2
InChIKey
VUNXBQRNMNVUMV-UHFFFAOYSA-N
Compound name
phenyl(piperazin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

2595
Patents

190.11061 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.11789 143.1
[M+Na]+ 213.09983 147.5
[M-H]- 189.10333 144.5
[M+NH4]+ 208.14443 158.4
[M+K]+ 229.07377 144.1
[M+H-H2O]+ 173.10787 134.6
[M+HCOO]- 235.10881 159.4
[M+CH3COO]- 249.12446 178.2
[M+Na-2H]- 211.08528 148.1
[M]+ 190.11006 135.9
[M]- 190.11116 135.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe