CID 7204887

2-methoxyisonicotinonitrile

Structural Information

Molecular Formula
C7H6N2O
SMILES
COC1=NC=CC(=C1)C#N
InChI
InChI=1S/C7H6N2O/c1-10-7-4-6(5-8)2-3-9-7/h2-4H,1H3
InChIKey
NZAZWLSRKMDRNS-UHFFFAOYSA-N
Compound name
2-methoxypyridine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

317
Patents

134.04802 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.055296 123.3
[M+Na]+ 157.037238 134.2
[M-H]- 133.040744 125.5
[M+NH4]+ 152.081843 141.9
[M+K]+ 173.011178 132.3
[M+H-H2O]+ 117.045280 110.6
[M+HCOO]- 179.046221 143.8
[M+CH3COO]- 193.061871 185.5
[M+Na-2H]- 155.022686 131.5
[M]+ 134.04747142 119.5
[M]- 134.04856858 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