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

7
Patents

159.03117 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.03845 130.0
[M+Na]+ 182.02039 140.5
[M-H]- 158.02389 129.3
[M+NH4]+ 177.06499 147.0
[M+K]+ 197.99433 136.6
[M+H-H2O]+ 142.02843 122.9
[M+HCOO]- 204.02937 148.4
[M+CH3COO]- 218.04502 179.1
[M+Na-2H]- 180.00584 137.6
[M]+ 159.03062 128.7
[M]- 159.03172 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