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

189
Patents

191.10587 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.11315 143.4
[M+Na]+ 214.09509 148.3
[M-H]- 190.09859 143.5
[M+NH4]+ 209.13969 157.3
[M+K]+ 230.06903 144.9
[M+H-H2O]+ 174.10313 134.1
[M+HCOO]- 236.10407 158.6
[M+CH3COO]- 250.11972 153.5
[M+Na-2H]- 212.08054 149.0
[M]+ 191.10532 136.4
[M]- 191.10642 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