CID 59238022

6-methoxypyrimidine-4-carbonitrile

Structural Information

Molecular Formula
C6H5N3O
SMILES
COC1=NC=NC(=C1)C#N
InChI
InChI=1S/C6H5N3O/c1-10-6-2-5(3-7)8-4-9-6/h2,4H,1H3
InChIKey
OOUKVQBOJCUSAQ-UHFFFAOYSA-N
Compound name
6-methoxypyrimidine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

135.04326 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.05054 121.6
[M+Na]+ 158.03248 132.4
[M-H]- 134.03598 122.2
[M+NH4]+ 153.07708 138.7
[M+K]+ 174.00642 131.1
[M+H-H2O]+ 118.04052 107.8
[M+HCOO]- 180.04146 141.0
[M+CH3COO]- 194.05711 185.2
[M+Na-2H]- 156.01793 130.3
[M]+ 135.04271 117.8
[M]- 135.04381 117.8
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