CID 25406

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

Structural Information

Molecular Formula
C4H6ClN5
SMILES
C(C1=NC(=NC(=N1)N)N)Cl
InChI
InChI=1S/C4H6ClN5/c5-1-2-8-3(6)10-4(7)9-2/h1H2,(H4,6,7,8,9,10)
InChIKey
PEHJTVMOGGJPJM-UHFFFAOYSA-N
Compound name
6-(chloromethyl)-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

159.03117 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.038446 130.0
[M+Na]+ 182.020388 140.5
[M-H]- 158.023894 129.3
[M+NH4]+ 177.064993 147.0
[M+K]+ 197.994328 136.6
[M+H-H2O]+ 142.028430 122.9
[M+HCOO]- 204.029371 148.4
[M+CH3COO]- 218.045021 179.1
[M+Na-2H]- 180.005836 137.6
[M]+ 159.03062142 128.7
[M]- 159.03171858 128.7
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