CID 200867

Brn 0397697

Structural Information

Molecular Formula
C12H20N4
SMILES
C1CCN(CC1)CCNC2=C(C=NC=C2)N
InChI
InChI=1S/C12H20N4/c13-11-10-14-5-4-12(11)15-6-9-16-7-2-1-3-8-16/h4-5,10H,1-3,6-9,13H2,(H,14,15)
InChIKey
UFRDIYNQZLTWRE-UHFFFAOYSA-N
Compound name
4-N-(2-piperidin-1-ylethyl)pyridine-3,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.1688 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.17608 151.1
[M+Na]+ 243.15802 154.8
[M-H]- 219.16152 153.4
[M+NH4]+ 238.20262 165.5
[M+K]+ 259.13196 151.1
[M+H-H2O]+ 203.16606 141.7
[M+HCOO]- 265.16700 170.7
[M+CH3COO]- 279.18265 192.7
[M+Na-2H]- 241.14347 156.6
[M]+ 220.16825 144.3
[M]- 220.16935 144.3
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.