CID 74257

Bis((3-pyridyl)methyl)amine

Structural Information

Molecular Formula
C12H13N3
SMILES
C1=CC(=CN=C1)CNCC2=CN=CC=C2
InChI
InChI=1S/C12H13N3/c1-3-11(7-13-5-1)9-15-10-12-4-2-6-14-8-12/h1-8,15H,9-10H2
InChIKey
FEBQXMFOLRVSGC-UHFFFAOYSA-N
Compound name
1-pyridin-3-yl-N-(pyridin-3-ylmethyl)methanamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

206
Patents

199.11095 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.118226 142.9
[M+Na]+ 222.100168 149.6
[M-H]- 198.103674 146.4
[M+NH4]+ 217.144773 158.6
[M+K]+ 238.074108 145.5
[M+H-H2O]+ 182.108210 133.7
[M+HCOO]- 244.109151 166.4
[M+CH3COO]- 258.124801 155.0
[M+Na-2H]- 220.085616 152.9
[M]+ 199.11040142 141.6
[M]- 199.11149858 141.6
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