CID 389996

6-(chloromethyl)-n2,n2-dimethyl-1,3,5-triazine-2,4-diamine

Structural Information

Molecular Formula
C6H10ClN5
SMILES
CN(C)C1=NC(=NC(=N1)N)CCl
InChI
InChI=1S/C6H10ClN5/c1-12(2)6-10-4(3-7)9-5(8)11-6/h3H2,1-2H3,(H2,8,9,10,11)
InChIKey
WMWUQLMRNQGYEY-UHFFFAOYSA-N
Compound name
6-(chloromethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

187.06247 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.06975 138.5
[M+Na]+ 210.05169 148.3
[M-H]- 186.05519 139.4
[M+NH4]+ 205.09629 155.3
[M+K]+ 226.02563 145.6
[M+H-H2O]+ 170.05973 130.7
[M+HCOO]- 232.06067 157.3
[M+CH3COO]- 246.07632 189.1
[M+Na-2H]- 208.03714 145.4
[M]+ 187.06192 140.2
[M]- 187.06302 140.2
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