CID 78630

1,2-bis(4-pyridyl)ethane

Structural Information

Molecular Formula
C12H12N2
SMILES
C1=CN=CC=C1CCC2=CC=NC=C2
InChI
InChI=1S/C12H12N2/c1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12/h3-10H,1-2H2
InChIKey
DQRKTVIJNCVZAX-UHFFFAOYSA-N
Compound name
4-(2-pyridin-4-ylethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

91
References

4100
Patents

184.10005 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.10733 139.4
[M+Na]+ 207.08927 147.0
[M-H]- 183.09277 143.0
[M+NH4]+ 202.13387 156.1
[M+K]+ 223.06321 143.1
[M+H-H2O]+ 167.09731 130.6
[M+HCOO]- 229.09825 161.8
[M+CH3COO]- 243.11390 152.1
[M+Na-2H]- 205.07472 148.9
[M]+ 184.09950 138.7
[M]- 184.10060 138.7
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