CID 68282

1125-96-8

Structural Information

Molecular Formula
C9H10N2
SMILES
C1CNC(=C1)C2=CN=CC=C2
InChI
InChI=1S/C9H10N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3-5,7,11H,2,6H2
InChIKey
VSECEWAIAJHRGJ-UHFFFAOYSA-N
Compound name
3-(2,3-dihydro-1H-pyrrol-5-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1337
Patents

146.0844 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.091676 129.2
[M+Na]+ 169.073618 136.5
[M-H]- 145.077124 131.6
[M+NH4]+ 164.118223 148.6
[M+K]+ 185.047558 133.2
[M+H-H2O]+ 129.081660 121.5
[M+HCOO]- 191.082601 150.5
[M+CH3COO]- 205.098251 142.2
[M+Na-2H]- 167.059066 135.9
[M]+ 146.08385142 125.0
[M]- 146.08494858 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

patents stripe