CID 18729118

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

Structural Information

Molecular Formula
C6H9ClN4
SMILES
CC1=NC(=NC(=N1)Cl)N(C)C
InChI
InChI=1S/C6H9ClN4/c1-4-8-5(7)10-6(9-4)11(2)3/h1-3H3
InChIKey
AWAOCZPYQILHIU-UHFFFAOYSA-N
Compound name
4-chloro-N,N,6-trimethyl-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

172.05157 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.05885 133.1
[M+Na]+ 195.04079 143.7
[M-H]- 171.04429 134.5
[M+NH4]+ 190.08539 151.1
[M+K]+ 211.01473 141.5
[M+H-H2O]+ 155.04883 125.6
[M+HCOO]- 217.04977 151.4
[M+CH3COO]- 231.06542 184.9
[M+Na-2H]- 193.02624 140.7
[M]+ 172.05102 136.5
[M]- 172.05212 136.5
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