CID 600769

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

5
References

36
Patents

177.05138 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.05866 135.4
[M+Na]+ 200.04060 144.6
[M+NH4]+ 195.08520 140.5
[M+K]+ 216.01454 140.5
[M-H]- 176.04410 132.0
[M+Na-2H]- 198.02605 139.9
[M]+ 177.05083 135.4
[M]- 177.05193 135.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe