CID 12750

1,2,3,6-tetrahydropyridine

Structural Information

Molecular Formula
C5H9N
SMILES
C1CNCC=C1
InChI
InChI=1S/C5H9N/c1-2-4-6-5-3-1/h1-2,6H,3-5H2
InChIKey
FTAHXMZRJCZXDL-UHFFFAOYSA-N
Compound name
1,2,3,6-tetrahydropyridine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

23
References

32794
Patents

83.0735 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 84.080776 114.9
[M+Na]+ 106.062718 120.5
[M-H]- 82.066224 115.1
[M+NH4]+ 101.107323 136.3
[M+K]+ 122.036658 119.3
[M+H-H2O]+ 66.070760 109.2
[M+HCOO]- 128.071701 135.0
[M+CH3COO]- 142.087351 158.9
[M+Na-2H]- 104.048166 123.6
[M]+ 83.07295142 108.7
[M]- 83.07404858 108.7
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