CID 3614708

521914-40-9

Structural Information

Molecular Formula
C11H17N3
SMILES
CC(C1=CC=NC=C1)N2CCNCC2
InChI
InChI=1S/C11H17N3/c1-10(11-2-4-12-5-3-11)14-8-6-13-7-9-14/h2-5,10,13H,6-9H2,1H3
InChIKey
NGAAVRLUIZDMQZ-UHFFFAOYSA-N
Compound name
1-(1-pyridin-4-ylethyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

191.14224 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.149516 145.5
[M+Na]+ 214.131458 149.6
[M-H]- 190.134964 145.3
[M+NH4]+ 209.176063 159.4
[M+K]+ 230.105398 146.1
[M+H-H2O]+ 174.139500 136.1
[M+HCOO]- 236.140441 160.0
[M+CH3COO]- 250.156091 155.2
[M+Na-2H]- 212.116906 150.5
[M]+ 191.14169142 138.2
[M]- 191.14278858 138.2
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