CID 44754798

6-methoxy-2-(trifluoromethyl)pyridin-3-amine hydrochloride

Structural Information

Molecular Formula
C7H7F3N2O
SMILES
COC1=NC(=C(C=C1)N)C(F)(F)F
InChI
InChI=1S/C7H7F3N2O/c1-13-5-3-2-4(11)6(12-5)7(8,9)10/h2-3H,11H2,1H3
InChIKey
XDZZWEUGFCSZAQ-UHFFFAOYSA-N
Compound name
6-methoxy-2-(trifluoromethyl)pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

192.05104 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.058316 135.1
[M+Na]+ 215.040258 145.0
[M-H]- 191.043764 133.8
[M+NH4]+ 210.084863 153.3
[M+K]+ 231.014198 142.6
[M+H-H2O]+ 175.048300 126.5
[M+HCOO]- 237.049241 154.9
[M+CH3COO]- 251.064891 184.3
[M+Na-2H]- 213.025706 141.1
[M]+ 192.05049142 131.1
[M]- 192.05158858 131.1
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

patents stripe