CID 99963431

2155840-19-8

Structural Information

Molecular Formula
C13H19N3O
SMILES
C1CCN(C1)C2=C(C=CC=N2)O[C@H]3CCNC3
InChI
InChI=1S/C13H19N3O/c1-2-9-16(8-1)13-12(4-3-6-15-13)17-11-5-7-14-10-11/h3-4,6,11,14H,1-2,5,7-10H2/t11-/m0/s1
InChIKey
JJXSETYGAHGFNR-NSHDSACASA-N
Compound name
2-pyrrolidin-1-yl-3-[(3S)-pyrrolidin-3-yl]oxypyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.15282 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.160096 153.9
[M+Na]+ 256.142038 158.2
[M-H]- 232.145544 157.5
[M+NH4]+ 251.186643 169.6
[M+K]+ 272.115978 154.8
[M+H-H2O]+ 216.150080 144.0
[M+HCOO]- 278.151021 170.6
[M+CH3COO]- 292.166671 164.0
[M+Na-2H]- 254.127486 153.8
[M]+ 233.15227142 147.5
[M]- 233.15336858 147.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.