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

64
Patents

158.03592 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.04320 129.4
[M+Na]+ 181.02514 140.3
[M-H]- 157.02864 129.4
[M+NH4]+ 176.06974 147.3
[M+K]+ 196.99908 137.0
[M+H-H2O]+ 141.03318 122.3
[M+HCOO]- 203.03412 147.6
[M+CH3COO]- 217.04977 178.4
[M+Na-2H]- 179.01059 138.2
[M]+ 158.03537 131.1
[M]- 158.03647 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