CID 15422742

31458-47-6

Structural Information

Molecular Formula
C5H7N3O2
SMILES
COC1=C(NC(=O)N=C1)N
InChI
InChI=1S/C5H7N3O2/c1-10-3-2-7-5(9)8-4(3)6/h2H,1H3,(H3,6,7,8,9)
InChIKey
NGOCBWZVBNMKES-UHFFFAOYSA-N
Compound name
6-amino-5-methoxy-1H-pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

301
Patents

141.05383 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.061106 125.3
[M+Na]+ 164.043048 135.3
[M-H]- 140.046554 125.3
[M+NH4]+ 159.087653 143.4
[M+K]+ 180.016988 133.0
[M+H-H2O]+ 124.051090 118.6
[M+HCOO]- 186.052031 148.1
[M+CH3COO]- 200.067681 171.8
[M+Na-2H]- 162.028496 132.9
[M]+ 141.05328142 124.0
[M]- 141.05437858 124.0
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