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]+ 190.097486 139.2
[M+Na]+ 212.079428 147.9
[M-H]- 188.082934 140.3
[M+NH4]+ 207.124033 154.8
[M+K]+ 228.053368 143.4
[M+H-H2O]+ 172.087470 124.3
[M+HCOO]- 234.088411 155.4
[M+CH3COO]- 248.104061 149.6
[M+Na-2H]- 210.064876 143.4
[M]+ 189.08966142 130.8
[M]- 189.09075858 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