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]+ 236.186976 154.6
[M+Na]+ 258.168918 158.5
[M-H]- 234.172424 156.8
[M+NH4]+ 253.213523 168.0
[M+K]+ 274.142858 154.4
[M+H-H2O]+ 218.176960 145.1
[M+HCOO]- 280.177901 174.6
[M+CH3COO]- 294.193551 198.5
[M+Na-2H]- 256.154366 158.9
[M]+ 235.17915142 146.5
[M]- 235.18024858 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.