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]+ 165.077086 131.2
[M+Na]+ 187.059028 141.4
[M-H]- 163.062534 131.4
[M+NH4]+ 182.103633 146.8
[M+K]+ 203.032968 139.8
[M+H-H2O]+ 147.067070 117.1
[M+HCOO]- 209.068011 150.5
[M+CH3COO]- 223.083661 192.7
[M+Na-2H]- 185.044476 137.8
[M]+ 164.06926142 126.3
[M]- 164.07035858 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.