CID 81406

6957-14-8

Structural Information

Molecular Formula
C12H20N4
SMILES
C1CN(CCN1)CCNCC2=CC=CC=N2
InChI
InChI=1S/C12H20N4/c1-2-4-15-12(3-1)11-14-7-10-16-8-5-13-6-9-16/h1-4,13-14H,5-11H2
InChIKey
KRQSKMDJMSKNLA-UHFFFAOYSA-N
Compound name
2-piperazin-1-yl-N-(pyridin-2-ylmethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

56
Patents

220.1688 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.176076 152.2
[M+Na]+ 243.158018 155.3
[M-H]- 219.161524 151.7
[M+NH4]+ 238.202623 164.7
[M+K]+ 259.131958 150.9
[M+H-H2O]+ 203.166060 142.1
[M+HCOO]- 265.167001 168.4
[M+CH3COO]- 279.182651 187.5
[M+Na-2H]- 241.143466 158.5
[M]+ 220.16825142 145.2
[M]- 220.16934858 145.2
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