CID 2737021

6-morpholinonicotinonitrile

Structural Information

Molecular Formula
C10H11N3O
SMILES
C1COCCN1C2=NC=C(C=C2)C#N
InChI
InChI=1S/C10H11N3O/c11-7-9-1-2-10(12-8-9)13-3-5-14-6-4-13/h1-2,8H,3-6H2
InChIKey
MWMUIALBOFAVDT-UHFFFAOYSA-N
Compound name
6-morpholin-4-ylpyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

51
Patents

189.09021 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.09749 136.6
[M+Na]+ 212.07943 144.9
[M-H]- 188.08293 138.9
[M+NH4]+ 207.12403 149.8
[M+K]+ 228.05337 142.1
[M+H-H2O]+ 172.08747 121.1
[M+HCOO]- 234.08841 151.2
[M+CH3COO]- 248.10406 147.1
[M+Na-2H]- 210.06488 143.4
[M]+ 189.08966 128.3
[M]- 189.09076 128.3
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