CID 136743994

Dtxsid001028358

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]+ 170.06725 133.7
[M+Na]+ 192.04919 143.0
[M-H]- 168.05269 132.6
[M+NH4]+ 187.09379 148.9
[M+K]+ 208.02313 140.4
[M+H-H2O]+ 152.05723 126.0
[M+HCOO]- 214.05817 155.4
[M+CH3COO]- 228.07382 179.4
[M+Na-2H]- 190.03464 140.6
[M]+ 169.05942 130.9
[M]- 169.06052 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.