CID 876553

1-(pyridine-4-carbonyl)piperazine

Structural Information

Molecular Formula
C10H13N3O
SMILES
C1CN(CCN1)C(=O)C2=CC=NC=C2
InChI
InChI=1S/C10H13N3O/c14-10(9-1-3-11-4-2-9)13-7-5-12-6-8-13/h1-4,12H,5-8H2
InChIKey
YLYAETTZHAUHNX-UHFFFAOYSA-N
Compound name
piperazin-1-yl(pyridin-4-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

101
Patents

191.10587 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.113146 143.4
[M+Na]+ 214.095088 148.3
[M-H]- 190.098594 143.5
[M+NH4]+ 209.139693 157.3
[M+K]+ 230.069028 144.9
[M+H-H2O]+ 174.103130 134.1
[M+HCOO]- 236.104071 158.6
[M+CH3COO]- 250.119721 153.5
[M+Na-2H]- 212.080536 149.0
[M]+ 191.10532142 136.4
[M]- 191.10641858 136.4
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