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 124.2
[M+Na]+ 150.02740 131.6
[M-H]- 126.03090 122.4
[M+NH4]+ 145.07200 141.8
[M+K]+ 166.00134 128.6
[M+H-H2O]+ 110.03544 118.0
[M+HCOO]- 172.03638 142.3
[M+CH3COO]- 186.05203 166.3
[M+Na-2H]- 148.01285 129.8
[M]+ 127.03763 116.0
[M]- 127.03873 116.0
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

No patent data available for this compound.