CID 199345

Brn 0482280

Structural Information

Molecular Formula
C12H21N5
SMILES
C1CCN(CC1)CCNC2=C(C=NC=C2N)N
InChI
InChI=1S/C12H21N5/c13-10-8-15-9-11(14)12(10)16-4-7-17-5-2-1-3-6-17/h8-9H,1-7,13-14H2,(H,15,16)
InChIKey
SQFKRUJFUXZODD-UHFFFAOYSA-N
Compound name
4-N-(2-piperidin-1-ylethyl)pyridine-3,4,5-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.1797 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.18698 154.6
[M+Na]+ 258.16892 158.5
[M-H]- 234.17242 156.8
[M+NH4]+ 253.21352 168.0
[M+K]+ 274.14286 154.4
[M+H-H2O]+ 218.17696 145.1
[M+HCOO]- 280.17790 174.6
[M+CH3COO]- 294.19355 198.5
[M+Na-2H]- 256.15437 158.9
[M]+ 235.17915 146.5
[M]- 235.18025 146.5
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

No patent data available for this compound.