CID 30591

4-chloro-6-methyl-1,3,5-triazin-2-amine

Structural Information

Molecular Formula
C4H5ClN4
SMILES
CC1=NC(=NC(=N1)Cl)N
InChI
InChI=1S/C4H5ClN4/c1-2-7-3(5)9-4(6)8-2/h1H3,(H2,6,7,8,9)
InChIKey
BTBXQZKDOSYRDX-UHFFFAOYSA-N
Compound name
4-chloro-6-methyl-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

105
Patents

144.02028 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.02756 124.0
[M+Na]+ 167.00950 138.2
[M+NH4]+ 162.05410 132.1
[M+K]+ 182.98344 132.2
[M-H]- 143.01300 125.1
[M+Na-2H]- 164.99495 131.5
[M]+ 144.01973 126.5
[M]- 144.02083 126.5
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

patents stripe