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]+ 215.09612 145.7
[M+Na]+ 237.07806 154.9
[M-H]- 213.08156 145.2
[M+NH4]+ 232.12266 160.9
[M+K]+ 253.05200 151.4
[M+H-H2O]+ 197.08610 137.7
[M+HCOO]- 259.08704 162.0
[M+CH3COO]- 273.10269 188.8
[M+Na-2H]- 235.06351 149.0
[M]+ 214.08829 149.2
[M]- 214.08939 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.