CID 4993105

4-(pyrrolidin-3-yl)pyridine

Structural Information

Molecular Formula
C9H12N2
SMILES
C1CNCC1C2=CC=NC=C2
InChI
InChI=1S/C9H12N2/c1-4-10-5-2-8(1)9-3-6-11-7-9/h1-2,4-5,9,11H,3,6-7H2
InChIKey
HWJSDKNFWQDVIG-UHFFFAOYSA-N
Compound name
4-pyrrolidin-3-ylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

346
Patents

148.10005 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.10733 131.1
[M+Na]+ 171.08927 137.4
[M-H]- 147.09277 133.2
[M+NH4]+ 166.13387 150.3
[M+K]+ 187.06321 134.3
[M+H-H2O]+ 131.09731 123.3
[M+HCOO]- 193.09825 151.0
[M+CH3COO]- 207.11390 143.5
[M+Na-2H]- 169.07472 136.8
[M]+ 148.09950 125.5
[M]- 148.10060 125.5
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