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

123
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 125.3
[M+Na]+ 167.00950 136.7
[M-H]- 143.01300 125.0
[M+NH4]+ 162.05410 143.5
[M+K]+ 182.98344 133.2
[M+H-H2O]+ 127.01754 118.5
[M+HCOO]- 189.01848 143.2
[M+CH3COO]- 203.03413 174.7
[M+Na-2H]- 164.99495 133.6
[M]+ 144.01973 125.6
[M]- 144.02083 125.6
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