CID 10397298

6-(diethylamino)pyridine-3-carbonitrile

Structural Information

Molecular Formula
C10H13N3
SMILES
CCN(CC)C1=NC=C(C=C1)C#N
InChI
InChI=1S/C10H13N3/c1-3-13(4-2)10-6-5-9(7-11)8-12-10/h5-6,8H,3-4H2,1-2H3
InChIKey
SHESZGFVOXMWNO-UHFFFAOYSA-N
Compound name
6-(diethylamino)pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

175.11095 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.118226 137.9
[M+Na]+ 198.100168 146.7
[M-H]- 174.103674 140.6
[M+NH4]+ 193.144773 155.1
[M+K]+ 214.074108 145.0
[M+H-H2O]+ 158.108210 124.0
[M+HCOO]- 220.109151 158.4
[M+CH3COO]- 234.124801 199.3
[M+Na-2H]- 196.085616 143.9
[M]+ 175.11040142 134.1
[M]- 175.11149858 134.1
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