CID 199928

Brn 0612022

Structural Information

Molecular Formula
C8H14N4OS
SMILES
CCSCCC1=NC(=NC(=N1)OC)N
InChI
InChI=1S/C8H14N4OS/c1-3-14-5-4-6-10-7(9)12-8(11-6)13-2/h3-5H2,1-2H3,(H2,9,10,11,12)
InChIKey
JLYKIUCLAIOOEK-UHFFFAOYSA-N
Compound name
4-(2-ethylsulfanylethyl)-6-methoxy-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.08884 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.096116 145.7
[M+Na]+ 237.078058 154.9
[M-H]- 213.081564 145.2
[M+NH4]+ 232.122663 160.9
[M+K]+ 253.051998 151.4
[M+H-H2O]+ 197.086100 137.7
[M+HCOO]- 259.087041 162.0
[M+CH3COO]- 273.102691 188.8
[M+Na-2H]- 235.063506 149.0
[M]+ 214.08829142 149.2
[M]- 214.08938858 149.2
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.