CID 199907

Brn 0519988

Structural Information

Molecular Formula
C8H13ClN4O
SMILES
CCNC1=NC(=NC(=N1)CCl)OCC
InChI
InChI=1S/C8H13ClN4O/c1-3-10-7-11-6(5-9)12-8(13-7)14-4-2/h3-5H2,1-2H3,(H,10,11,12,13)
InChIKey
IXNLWXIWHAIETB-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.07779 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.08507 145.6
[M+Na]+ 239.06701 155.0
[M-H]- 215.07051 145.1
[M+NH4]+ 234.11161 161.1
[M+K]+ 255.04095 151.5
[M+H-H2O]+ 199.07505 137.6
[M+HCOO]- 261.07599 162.9
[M+CH3COO]- 275.09164 189.4
[M+Na-2H]- 237.05246 152.7
[M]+ 216.07724 149.7
[M]- 216.07834 149.7
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.