CID 12237262

4-chloro-n,6-dimethyl-1,3,5-triazin-2-amine

Structural Information

Molecular Formula
C5H7ClN4
SMILES
CC1=NC(=NC(=N1)Cl)NC
InChI
InChI=1S/C5H7ClN4/c1-3-8-4(6)10-5(7-2)9-3/h1-2H3,(H,7,8,9,10)
InChIKey
OOJFLTDNAJUBKR-UHFFFAOYSA-N
Compound name
4-chloro-N,6-dimethyl-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

158.03592 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.043196 129.4
[M+Na]+ 181.025138 140.3
[M-H]- 157.028644 129.4
[M+NH4]+ 176.069743 147.3
[M+K]+ 196.999078 137.0
[M+H-H2O]+ 141.033180 122.3
[M+HCOO]- 203.034121 147.6
[M+CH3COO]- 217.049771 178.4
[M+Na-2H]- 179.010586 138.2
[M]+ 158.03537142 131.1
[M]- 158.03646858 131.1
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