CID 45079846

154403-85-7

Structural Information

Molecular Formula
C8H8N2O
SMILES
COC1=NC=C(C=C1)CC#N
InChI
InChI=1S/C8H8N2O/c1-11-8-3-2-7(4-5-9)6-10-8/h2-3,6H,4H2,1H3
InChIKey
RGHZXZCNIZIVGY-UHFFFAOYSA-N
Compound name
2-(6-methoxypyridin-3-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

148.06366 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.07094 131.1
[M+Na]+ 171.05288 143.9
[M+NH4]+ 166.09748 136.1
[M+K]+ 187.02682 134.4
[M-H]- 147.05638 125.6
[M+Na-2H]- 169.03833 136.0
[M]+ 148.06311 130.5
[M]- 148.06421 130.5
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