CID 15218502

90585-93-6

Structural Information

Molecular Formula
C5H7N3O2
SMILES
C1=C(C(=O)NC(=O)N1)CN
InChI
InChI=1S/C5H7N3O2/c6-1-3-2-7-5(10)8-4(3)9/h2H,1,6H2,(H2,7,8,9,10)
InChIKey
YJHUFZQMNTWHBO-UHFFFAOYSA-N
Compound name
5-(aminomethyl)-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

734
Patents

141.05383 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.061106 125.4
[M+Na]+ 164.043048 135.3
[M-H]- 140.046554 124.1
[M+NH4]+ 159.087653 142.7
[M+K]+ 180.016988 131.5
[M+H-H2O]+ 124.051090 119.1
[M+HCOO]- 186.052031 146.8
[M+CH3COO]- 200.067681 168.6
[M+Na-2H]- 162.028496 132.5
[M]+ 141.05328142 121.6
[M]- 141.05437858 121.6
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