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]+ 188.069746 138.5
[M+Na]+ 210.051688 148.3
[M-H]- 186.055194 139.4
[M+NH4]+ 205.096293 155.3
[M+K]+ 226.025628 145.6
[M+H-H2O]+ 170.059730 130.7
[M+HCOO]- 232.060671 157.3
[M+CH3COO]- 246.076321 189.1
[M+Na-2H]- 208.037136 145.4
[M]+ 187.06192142 140.2
[M]- 187.06301858 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