CID 24844772

Pyridinium, 2-pyridyl-2-ethyl-, phosphate

Structural Information

Molecular Formula
C12H13N2
SMILES
C1=CC=[N+](C=C1)CCC2=CC=CC=N2
InChI
InChI=1S/C12H13N2/c1-4-9-14(10-5-1)11-7-12-6-2-3-8-13-12/h1-6,8-10H,7,11H2/q+1
InChIKey
DEZUHFBOVFPUON-UHFFFAOYSA-N
Compound name
2-(2-pyridin-1-ium-1-ylethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.10788 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.11516 141.8
[M+Na]+ 208.09710 149.1
[M-H]- 184.10060 145.6
[M+NH4]+ 203.14170 158.1
[M+K]+ 224.07104 139.9
[M+H-H2O]+ 168.10514 135.7
[M+HCOO]- 230.10608 163.8
[M+CH3COO]- 244.12173 175.2
[M+Na-2H]- 206.08255 153.2
[M]+ 185.10733 139.9
[M]- 185.10843 139.9
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.