CID 62349494

6-(pyrrolidin-3-yloxy)pyridine-3-carbonitrile

Structural Information

Molecular Formula
C10H11N3O
SMILES
C1CNCC1OC2=NC=C(C=C2)C#N
InChI
InChI=1S/C10H11N3O/c11-5-8-1-2-10(13-6-8)14-9-3-4-12-7-9/h1-2,6,9,12H,3-4,7H2
InChIKey
CPSSBANJTRMOOC-UHFFFAOYSA-N
Compound name
6-pyrrolidin-3-yloxypyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

189.09021 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.09749 139.2
[M+Na]+ 212.07943 147.9
[M-H]- 188.08293 140.3
[M+NH4]+ 207.12403 154.8
[M+K]+ 228.05337 143.4
[M+H-H2O]+ 172.08747 124.3
[M+HCOO]- 234.08841 155.4
[M+CH3COO]- 248.10406 149.6
[M+Na-2H]- 210.06488 143.4
[M]+ 189.08966 130.8
[M]- 189.09076 130.8
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

patents stripe