CID 583756

Nicotinonitrile, 1-ethyl-1,4-dihydro-

Structural Information

Molecular Formula
C8H10N2
SMILES
CCN1C=CCC(=C1)C#N
InChI
InChI=1S/C8H10N2/c1-2-10-5-3-4-8(6-9)7-10/h3,5,7H,2,4H2,1H3
InChIKey
HUBPNGDGPNICGY-UHFFFAOYSA-N
Compound name
1-ethyl-4H-pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

134.0844 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.091676 125.4
[M+Na]+ 157.073618 135.1
[M-H]- 133.077124 127.3
[M+NH4]+ 152.118223 144.0
[M+K]+ 173.047558 132.7
[M+H-H2O]+ 117.081660 112.8
[M+HCOO]- 179.082601 144.1
[M+CH3COO]- 193.098251 186.7
[M+Na-2H]- 155.059066 132.4
[M]+ 134.08385142 119.5
[M]- 134.08494858 119.5
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