CID 3041949

1,3,5-triazine, 2-methyl-4-(4-morpholinyl)-6-(trifluoromethyl)-

Structural Information

Molecular Formula
C9H11F3N4O
SMILES
CC1=NC(=NC(=N1)N2CCOCC2)C(F)(F)F
InChI
InChI=1S/C9H11F3N4O/c1-6-13-7(9(10,11)12)15-8(14-6)16-2-4-17-5-3-16/h2-5H2,1H3
InChIKey
CBEZFCIXTQVPOF-UHFFFAOYSA-N
Compound name
4-[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.0885 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.09578 155.3
[M+Na]+ 271.07772 163.7
[M-H]- 247.08122 153.0
[M+NH4]+ 266.12232 165.5
[M+K]+ 287.05166 161.0
[M+H-H2O]+ 231.08576 142.8
[M+HCOO]- 293.08670 165.9
[M+CH3COO]- 307.10235 191.4
[M+Na-2H]- 269.06317 160.6
[M]+ 248.08795 149.1
[M]- 248.08905 149.1
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.