CID 16227072

98336-32-4

Structural Information

Molecular Formula
C7H12ClN5
SMILES
CC(C1=NC(=NC(=N1)N(C)C)N)Cl
InChI
InChI=1S/C7H12ClN5/c1-4(8)5-10-6(9)12-7(11-5)13(2)3/h4H,1-3H3,(H2,9,10,11,12)
InChIKey
SDSCOBGYAUKKBC-UHFFFAOYSA-N
Compound name
6-(1-chloroethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.07812 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.08540 141.3
[M+Na]+ 224.06734 153.4
[M+NH4]+ 219.11194 148.4
[M+K]+ 240.04128 148.5
[M-H]- 200.07084 142.6
[M+Na-2H]- 222.05279 147.6
[M]+ 201.07757 143.4
[M]- 201.07867 143.4
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

No patent data available for this compound.