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]+ 234.16010 153.9
[M+Na]+ 256.14204 158.2
[M-H]- 232.14554 157.5
[M+NH4]+ 251.18664 169.6
[M+K]+ 272.11598 154.8
[M+H-H2O]+ 216.15008 144.0
[M+HCOO]- 278.15102 170.6
[M+CH3COO]- 292.16667 164.0
[M+Na-2H]- 254.12749 153.8
[M]+ 233.15227 147.5
[M]- 233.15337 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.