CID 64209759

76574-34-0

Structural Information

Molecular Formula
C7H8N4O
SMILES
COCC1=NC=C(C(=N1)N)C#N
InChI
InChI=1S/C7H8N4O/c1-12-4-6-10-3-5(2-8)7(9)11-6/h3H,4H2,1H3,(H2,9,10,11)
InChIKey
JQQQYSOCZGACIM-UHFFFAOYSA-N
Compound name
4-amino-2-(methoxymethyl)pyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.06981 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.07709 131.2
[M+Na]+ 187.05903 141.4
[M-H]- 163.06253 131.4
[M+NH4]+ 182.10363 146.8
[M+K]+ 203.03297 139.8
[M+H-H2O]+ 147.06707 117.1
[M+HCOO]- 209.06801 150.5
[M+CH3COO]- 223.08366 192.7
[M+Na-2H]- 185.04448 137.8
[M]+ 164.06926 126.3
[M]- 164.07036 126.3
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

No patent data available for this compound.