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

70
Patents

135.04326 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.050536 121.6
[M+Na]+ 158.032478 132.4
[M-H]- 134.035984 122.2
[M+NH4]+ 153.077083 138.7
[M+K]+ 174.006418 131.1
[M+H-H2O]+ 118.040520 107.8
[M+HCOO]- 180.041461 141.0
[M+CH3COO]- 194.057111 185.2
[M+Na-2H]- 156.017926 130.3
[M]+ 135.04271142 117.8
[M]- 135.04380858 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