CID 136000336

4-methyl-6-(methylamino)-1,3,5-triazin-2-ol

Structural Information

Molecular Formula
C5H8N4O
SMILES
CC1=NC(=NC(=O)N1)NC
InChI
InChI=1S/C5H8N4O/c1-3-7-4(6-2)9-5(10)8-3/h1-2H3,(H2,6,7,8,9,10)
InChIKey
RSBYIKCVMXJHEA-UHFFFAOYSA-N
Compound name
6-methyl-4-(methylamino)-1H-1,3,5-triazin-2-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

9
Patents

140.06981 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.07709 127.3
[M+Na]+ 163.05903 137.5
[M-H]- 139.06253 126.4
[M+NH4]+ 158.10363 144.4
[M+K]+ 179.03297 134.8
[M+H-H2O]+ 123.06707 120.0
[M+HCOO]- 185.06801 149.1
[M+CH3COO]- 199.08366 173.3
[M+Na-2H]- 161.04448 136.0
[M]+ 140.06926 126.2
[M]- 140.07036 126.2
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

patents stripe