CID 44437438

3-(2,5-dihydro-1h-pyrrol-3-yl)pyridine dihydrochloride

Structural Information

Molecular Formula
C9H10N2
SMILES
C1C=C(CN1)C2=CN=CC=C2
InChI
InChI=1S/C9H10N2/c1-2-8(6-10-4-1)9-3-5-11-7-9/h1-4,6,11H,5,7H2
InChIKey
MBXVOARLUVJISP-UHFFFAOYSA-N
Compound name
3-(2,5-dihydro-1H-pyrrol-3-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

146.0844 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.09168 130.7
[M+Na]+ 169.07362 143.8
[M+NH4]+ 164.11822 139.8
[M+K]+ 185.04756 138.5
[M-H]- 145.07712 133.6
[M+Na-2H]- 167.05907 139.4
[M]+ 146.08385 133.3
[M]- 146.08495 133.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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