CID 17928441

1-(pyridin-3-yl)pyrrolidin-3-amine

Structural Information

Molecular Formula
C9H13N3
SMILES
C1CN(CC1N)C2=CN=CC=C2
InChI
InChI=1S/C9H13N3/c10-8-3-5-12(7-8)9-2-1-4-11-6-9/h1-2,4,6,8H,3,5,7,10H2
InChIKey
LVGMMVAWLISWJD-UHFFFAOYSA-N
Compound name
1-pyridin-3-ylpyrrolidin-3-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

63
Patents

163.11095 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.11823 134.4
[M+Na]+ 186.10017 141.2
[M-H]- 162.10367 137.7
[M+NH4]+ 181.14477 153.4
[M+K]+ 202.07411 138.4
[M+H-H2O]+ 146.10821 126.2
[M+HCOO]- 208.10915 156.2
[M+CH3COO]- 222.12480 147.0
[M+Na-2H]- 184.08562 139.3
[M]+ 163.11040 129.3
[M]- 163.11150 129.3
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