CID 442649

Myosmine

Structural Information

Molecular Formula
C9H10N2
SMILES
C1CC(=NC1)C2=CN=CC=C2
InChI
InChI=1S/C9H10N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7H,2,4,6H2
InChIKey
DPNGWXJMIILTBS-UHFFFAOYSA-N
Compound name
3-(3,4-dihydro-2H-pyrrol-5-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

66
References

1599
Patents

146.0844 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.09168 130.2
[M+Na]+ 169.07362 143.9
[M+NH4]+ 164.11822 139.7
[M+K]+ 185.04756 138.2
[M-H]- 145.07712 133.7
[M+Na-2H]- 167.05907 139.6
[M]+ 146.08385 133.1
[M]- 146.08495 133.1
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