CID 248964

4-amino-2-methoxypyrimidine-5-carbonitrile

Structural Information

Molecular Formula
C6H6N4O
SMILES
COC1=NC=C(C(=N1)N)C#N
InChI
InChI=1S/C6H6N4O/c1-11-6-9-3-4(2-7)5(8)10-6/h3H,1H3,(H2,8,9,10)
InChIKey
CXJTWQSCORECON-UHFFFAOYSA-N
Compound name
4-amino-2-methoxypyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

150.05415 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.06143 127.3
[M+Na]+ 173.04337 137.9
[M-H]- 149.04687 127.7
[M+NH4]+ 168.08797 143.5
[M+K]+ 189.01731 136.5
[M+H-H2O]+ 133.05141 113.4
[M+HCOO]- 195.05235 146.9
[M+CH3COO]- 209.06800 190.0
[M+Na-2H]- 171.02882 134.4
[M]+ 150.05360 122.1
[M]- 150.05470 122.1
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