CID 876553

39640-04-5

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

113
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 143.7
[M+Na]+ 214.09509 155.6
[M+NH4]+ 209.13969 150.9
[M+K]+ 230.06903 149.7
[M-H]- 190.09859 145.2
[M+Na-2H]- 212.08054 150.7
[M]+ 191.10532 145.5
[M]- 191.10642 145.5
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