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]+ 128.045456 124.2
[M+Na]+ 150.027398 131.6
[M-H]- 126.030904 122.4
[M+NH4]+ 145.072003 141.8
[M+K]+ 166.001338 128.6
[M+H-H2O]+ 110.035440 118.0
[M+HCOO]- 172.036381 142.3
[M+CH3COO]- 186.052031 166.3
[M+Na-2H]- 148.012846 129.8
[M]+ 127.03763142 116.0
[M]- 127.03872858 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.