CID 558685

53345-16-7

Structural Information

Molecular Formula
C11H17N3
SMILES
C1CN(CCN1)CCC2=CC=NC=C2
InChI
InChI=1S/C11H17N3/c1-4-12-5-2-11(1)3-8-14-9-6-13-7-10-14/h1-2,4-5,13H,3,6-10H2
InChIKey
PXJMEKXBONLMNG-UHFFFAOYSA-N
Compound name
1-(2-pyridin-4-ylethyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

109
Patents

191.14224 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.149516 145.3
[M+Na]+ 214.131458 149.7
[M-H]- 190.134964 145.0
[M+NH4]+ 209.176063 159.3
[M+K]+ 230.105398 145.6
[M+H-H2O]+ 174.139500 135.7
[M+HCOO]- 236.140441 160.7
[M+CH3COO]- 250.156091 155.1
[M+Na-2H]- 212.116906 151.5
[M]+ 191.14169142 138.6
[M]- 191.14278858 138.6
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