CID 45079846

2-(6-methoxypyridin-3-yl)acetonitrile

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

79
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 127.3
[M+Na]+ 171.05288 137.8
[M-H]- 147.05638 129.3
[M+NH4]+ 166.09748 145.4
[M+K]+ 187.02682 135.7
[M+H-H2O]+ 131.06092 114.4
[M+HCOO]- 193.06186 147.5
[M+CH3COO]- 207.07751 188.2
[M+Na-2H]- 169.03833 135.0
[M]+ 148.06311 123.9
[M]- 148.06421 123.9
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