CID 43138968

2-(pyridin-2-yl)-1-(pyridin-3-yl)ethan-1-amine

Structural Information

Molecular Formula
C12H13N3
SMILES
C1=CC=NC(=C1)CC(C2=CN=CC=C2)N
InChI
InChI=1S/C12H13N3/c13-12(10-4-3-6-14-9-10)8-11-5-1-2-7-15-11/h1-7,9,12H,8,13H2
InChIKey
UBMCONSRKGUOFH-UHFFFAOYSA-N
Compound name
2-pyridin-2-yl-1-pyridin-3-ylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

199.11095 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.11823 143.9
[M+Na]+ 222.10017 150.4
[M-H]- 198.10367 147.1
[M+NH4]+ 217.14477 159.3
[M+K]+ 238.07411 146.5
[M+H-H2O]+ 182.10821 134.9
[M+HCOO]- 244.10915 165.8
[M+CH3COO]- 258.12480 155.7
[M+Na-2H]- 220.08562 151.6
[M]+ 199.11040 141.0
[M]- 199.11150 141.0
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