CID 437234

1-(pyridin-3-yl)piperazine

Structural Information

Molecular Formula
C9H13N3
SMILES
C1CN(CCN1)C2=CN=CC=C2
InChI
InChI=1S/C9H13N3/c1-2-9(8-11-3-1)12-6-4-10-5-7-12/h1-3,8,10H,4-7H2
InChIKey
DNDJHEWLYGJJCY-UHFFFAOYSA-N
Compound name
1-pyridin-3-ylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1214
Patents

163.11095 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.11823 136.5
[M+Na]+ 186.10017 141.8
[M-H]- 162.10367 136.6
[M+NH4]+ 181.14477 151.7
[M+K]+ 202.07411 138.3
[M+H-H2O]+ 146.10821 127.4
[M+HCOO]- 208.10915 152.6
[M+CH3COO]- 222.12480 147.2
[M+Na-2H]- 184.08562 143.8
[M]+ 163.11040 129.1
[M]- 163.11150 129.1
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