CID 135399234

4-amino-6-methyl-1,3,5-triazin-2-ol

Structural Information

Molecular Formula
C4H6N4O
SMILES
CC1=NC(=NC(=O)N1)N
InChI
InChI=1S/C4H6N4O/c1-2-6-3(5)8-4(9)7-2/h1H3,(H3,5,6,7,8,9)
InChIKey
UUTHDVPZNWJUFV-UHFFFAOYSA-N
Compound name
4-amino-6-methyl-1H-1,3,5-triazin-2-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

73
Patents

126.05416 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.06144 123.3
[M+Na]+ 149.04338 133.9
[M-H]- 125.04688 122.1
[M+NH4]+ 144.08798 140.7
[M+K]+ 165.01732 131.2
[M+H-H2O]+ 109.05142 116.3
[M+HCOO]- 171.05236 144.9
[M+CH3COO]- 185.06801 169.6
[M+Na-2H]- 147.02883 131.5
[M]+ 126.05361 120.8
[M]- 126.05471 120.8
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