CID 16788254

[6-(4-ethylpiperazin-1-yl)pyridin-3-yl]methanamine

Structural Information

Molecular Formula
C12H20N4
SMILES
CCN1CCN(CC1)C2=NC=C(C=C2)CN
InChI
InChI=1S/C12H20N4/c1-2-15-5-7-16(8-6-15)12-4-3-11(9-13)10-14-12/h3-4,10H,2,5-9,13H2,1H3
InChIKey
NYCATFJBUBUPQP-UHFFFAOYSA-N
Compound name
[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

220.1688 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.176076 154.1
[M+Na]+ 243.158018 159.7
[M-H]- 219.161524 155.4
[M+NH4]+ 238.202623 167.8
[M+K]+ 259.131958 155.8
[M+H-H2O]+ 203.166060 144.3
[M+HCOO]- 265.167001 171.2
[M+CH3COO]- 279.182651 191.7
[M+Na-2H]- 241.143466 158.2
[M]+ 220.16825142 148.8
[M]- 220.16934858 148.8
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