CID 407038

Dihydropyridines

Structural Information

Molecular Formula
C5H7N
SMILES
C1C=CC=CN1
InChI
InChI=1S/C5H7N/c1-2-4-6-5-3-1/h1-4,6H,5H2
InChIKey
MMWRGWQTAMNAFC-UHFFFAOYSA-N
Compound name
1,2-dihydropyridine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1150
References

49810
Patents

81.057846 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 82.065122 112.7
[M+Na]+ 104.047064 119.4
[M-H]- 80.050570 113.2
[M+NH4]+ 99.091669 134.3
[M+K]+ 120.021004 117.9
[M+H-H2O]+ 64.055106 107.1
[M+HCOO]- 126.056047 134.3
[M+CH3COO]- 140.071697 158.5
[M+Na-2H]- 102.032512 122.5
[M]+ 81.05729742 107.9
[M]- 81.05839458 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