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]+ 202.085396 143.0
[M+Na]+ 224.067338 152.1
[M-H]- 200.070844 144.0
[M+NH4]+ 219.111943 159.2
[M+K]+ 240.041278 149.7
[M+H-H2O]+ 184.075380 135.2
[M+HCOO]- 246.076321 160.6
[M+CH3COO]- 260.091971 193.0
[M+Na-2H]- 222.052786 148.2
[M]+ 201.07757142 144.5
[M]- 201.07866858 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.