CID 10725939

2-methyl-5-(trifluoromethyl)pyridin-3-amine

Structural Information

Molecular Formula
C7H7F3N2
SMILES
CC1=C(C=C(C=N1)C(F)(F)F)N
InChI
InChI=1S/C7H7F3N2/c1-4-6(11)2-5(3-12-4)7(8,9)10/h2-3H,11H2,1H3
InChIKey
FPCJKWOZRCRSAP-UHFFFAOYSA-N
Compound name
2-methyl-5-(trifluoromethyl)pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

176.05614 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.063416 131.9
[M+Na]+ 199.045358 141.9
[M-H]- 175.048864 130.6
[M+NH4]+ 194.089963 150.8
[M+K]+ 215.019298 139.0
[M+H-H2O]+ 159.053400 123.6
[M+HCOO]- 221.054341 151.4
[M+CH3COO]- 235.069991 182.3
[M+Na-2H]- 197.030806 137.9
[M]+ 176.05559142 126.4
[M]- 176.05668858 126.4
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