CID 244182

6-methyl-2-(trifluoromethyl)pyrimidin-4-amine

Structural Information

Molecular Formula
C6H6F3N3
SMILES
CC1=CC(=NC(=N1)C(F)(F)F)N
InChI
InChI=1S/C6H6F3N3/c1-3-2-4(10)12-5(11-3)6(7,8)9/h2H,1H3,(H2,10,11,12)
InChIKey
DPJHXJVFHPVGKF-UHFFFAOYSA-N
Compound name
6-methyl-2-(trifluoromethyl)pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

177.05138 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.058656 132.5
[M+Na]+ 200.040598 143.0
[M-H]- 176.044104 129.9
[M+NH4]+ 195.085203 149.9
[M+K]+ 216.014538 140.0
[M+H-H2O]+ 160.048640 123.4
[M+HCOO]- 222.049581 151.0
[M+CH3COO]- 236.065231 182.0
[M+Na-2H]- 198.026046 139.0
[M]+ 177.05083142 127.2
[M]- 177.05192858 127.2
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

patents stripe