CID 770194

1-(3-pyridinylcarbonyl)piperazine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

211
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

No literature data available for this compound.

Patent stripe

patents stripe