CID 136743994

405917-98-8

Structural Information

Molecular Formula
C5H7N5O2
SMILES
CC1=NC(=NC(=O)N1)NC(=O)N
InChI
InChI=1S/C5H7N5O2/c1-2-7-4(9-3(6)11)10-5(12)8-2/h1H3,(H4,6,7,8,9,10,11,12)
InChIKey
RSADICMKYUSBLM-UHFFFAOYSA-N
Compound name
(2-methyl-6-oxo-1H-1,3,5-triazin-4-yl)urea
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

169.05997 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.067246 133.7
[M+Na]+ 192.049188 143.0
[M-H]- 168.052694 132.6
[M+NH4]+ 187.093793 148.9
[M+K]+ 208.023128 140.4
[M+H-H2O]+ 152.057230 126.0
[M+HCOO]- 214.058171 155.4
[M+CH3COO]- 228.073821 179.4
[M+Na-2H]- 190.034636 140.6
[M]+ 169.05942142 130.9
[M]- 169.06051858 130.9
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

No patent data available for this compound.