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 129.2
[M+Na]+ 169.07362 136.5
[M-H]- 145.07712 131.6
[M+NH4]+ 164.11822 148.6
[M+K]+ 185.04756 133.2
[M+H-H2O]+ 129.08166 121.5
[M+HCOO]- 191.08260 150.5
[M+CH3COO]- 205.09825 142.2
[M+Na-2H]- 167.05907 135.9
[M]+ 146.08385 125.0
[M]- 146.08495 125.0
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

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