CID 61102091

2-[2-(dimethylamino)ethoxy]pyridine-4-carbonitrile

Structural Information

Molecular Formula
C10H13N3O
SMILES
CN(C)CCOC1=NC=CC(=C1)C#N
InChI
InChI=1S/C10H13N3O/c1-13(2)5-6-14-10-7-9(8-11)3-4-12-10/h3-4,7H,5-6H2,1-2H3
InChIKey
RDQNCXDGOXHSHQ-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethoxy]pyridine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.10587 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.11315 140.1
[M+Na]+ 214.09509 148.9
[M-H]- 190.09859 142.9
[M+NH4]+ 209.13969 156.7
[M+K]+ 230.06903 147.7
[M+H-H2O]+ 174.10313 126.0
[M+HCOO]- 236.10407 160.9
[M+CH3COO]- 250.11972 201.1
[M+Na-2H]- 212.08054 146.2
[M]+ 191.10532 137.6
[M]- 191.10642 137.6
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.