CID 70120

6-aminouracil

Structural Information

Molecular Formula
C4H5N3O2
SMILES
C1=C(NC(=O)NC1=O)N
InChI
InChI=1S/C4H5N3O2/c5-2-1-3(8)7-4(9)6-2/h1H,(H4,5,6,7,8,9)
InChIKey
LNDZXOWGUAIUBG-UHFFFAOYSA-N
Compound name
6-amino-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

35
References

3169
Patents

127.03818 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.04546 121.0
[M+Na]+ 150.02740 131.3
[M-H]- 126.03090 119.8
[M+NH4]+ 145.07200 138.8
[M+K]+ 166.00134 127.7
[M+H-H2O]+ 110.03544 114.8
[M+HCOO]- 172.03638 142.7
[M+CH3COO]- 186.05203 165.6
[M+Na-2H]- 148.01285 128.5
[M]+ 127.03763 116.8
[M]- 127.03873 116.8
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