CID 16227072

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

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 143.0
[M+Na]+ 224.06734 152.1
[M-H]- 200.07084 144.0
[M+NH4]+ 219.11194 159.2
[M+K]+ 240.04128 149.7
[M+H-H2O]+ 184.07538 135.2
[M+HCOO]- 246.07632 160.6
[M+CH3COO]- 260.09197 193.0
[M+Na-2H]- 222.05279 148.2
[M]+ 201.07757 144.5
[M]- 201.07867 144.5
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.