CID 13023644

6-methoxy-2-pyridinecarbonitrile

Structural Information

Molecular Formula
C7H6N2O
SMILES
COC1=CC=CC(=N1)C#N
InChI
InChI=1S/C7H6N2O/c1-10-7-4-2-3-6(5-8)9-7/h2-4H,1H3
InChIKey
LTSUUWWSGRKYFO-UHFFFAOYSA-N
Compound name
6-methoxypyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

114
Patents

134.04802 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.05530 123.3
[M+Na]+ 157.03724 134.2
[M-H]- 133.04074 125.5
[M+NH4]+ 152.08184 141.9
[M+K]+ 173.01118 132.3
[M+H-H2O]+ 117.04528 110.6
[M+HCOO]- 179.04622 143.8
[M+CH3COO]- 193.06187 185.5
[M+Na-2H]- 155.02269 131.5
[M]+ 134.04747 119.5
[M]- 134.04857 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

literature stripe

Patent stripe

patents stripe