CID 104822

1,4-dihydropyridine

Structural Information

Molecular Formula
C5H7N
SMILES
C1C=CNC=C1
InChI
InChI=1S/C5H7N/c1-2-4-6-5-3-1/h2-6H,1H2
InChIKey
YNGDWRXWKFWCJY-UHFFFAOYSA-N
Compound name
1,4-dihydropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1152
References

64169
Patents

81.057846 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 82.065122 112.7
[M+Na]+ 104.04706 119.4
[M-H]- 80.050570 113.2
[M+NH4]+ 99.091669 134.3
[M+K]+ 120.02100 117.9
[M+H-H2O]+ 64.055106 107.1
[M+HCOO]- 126.05605 134.3
[M+CH3COO]- 140.07170 158.5
[M+Na-2H]- 102.03251 122.5
[M]+ 81.057297 107.9
[M]- 81.058395 107.9
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