CID 137321682

Hydrouracil, 6-imino-

Structural Information

Molecular Formula
C4H5N3O2
SMILES
C1C(=N)NC(=O)NC1=O
InChI
InChI=1S/C4H5N3O2/c5-2-1-3(8)7-4(9)6-2/h1H2,(H3,5,6,7,8,9)
InChIKey
BLOCGUWRFAOSFW-UHFFFAOYSA-N
Compound name
6-imino-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

127.03818 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.04546 124.3
[M+Na]+ 150.02740 133.5
[M+NH4]+ 145.07200 130.2
[M+K]+ 166.00134 129.8
[M-H]- 126.03090 123.0
[M+Na-2H]- 148.01285 127.3
[M]+ 127.03763 124.5
[M]- 127.03873 124.5
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.