CID 21784480

4-amino-2-methoxy-6-methylpyrimidine-5-carbonitrile

Structural Information

Molecular Formula
C7H8N4O
SMILES
CC1=C(C(=NC(=N1)OC)N)C#N
InChI
InChI=1S/C7H8N4O/c1-4-5(3-8)6(9)11-7(10-4)12-2/h1-2H3,(H2,9,10,11)
InChIKey
QTTWVMCKPIZALB-UHFFFAOYSA-N
Compound name
4-amino-2-methoxy-6-methylpyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

164.06981 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.07709 134.9
[M+Na]+ 187.05903 146.8
[M+NH4]+ 182.10363 138.7
[M+K]+ 203.03297 138.7
[M-H]- 163.06253 128.8
[M+Na-2H]- 185.04448 138.4
[M]+ 164.06926 133.9
[M]- 164.07036 133.9
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