CID 43251299

3-[4-(pyridin-4-yl)piperazin-1-yl]propan-1-amine

Structural Information

Molecular Formula
C12H20N4
SMILES
C1CN(CCN1CCCN)C2=CC=NC=C2
InChI
InChI=1S/C12H20N4/c13-4-1-7-15-8-10-16(11-9-15)12-2-5-14-6-3-12/h2-3,5-6H,1,4,7-11,13H2
InChIKey
SPDPAWCDGSUUKN-UHFFFAOYSA-N
Compound name
3-(4-pyridin-4-ylpiperazin-1-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

220.1688 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.176076 153.3
[M+Na]+ 243.158018 157.8
[M-H]- 219.161524 154.1
[M+NH4]+ 238.202623 166.6
[M+K]+ 259.131958 153.9
[M+H-H2O]+ 203.166060 143.2
[M+HCOO]- 265.167001 170.4
[M+CH3COO]- 279.182651 190.5
[M+Na-2H]- 241.143466 158.2
[M]+ 220.16825142 147.6
[M]- 220.16934858 147.6
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