CID 53401469

(5-(trifluoromethyl)pyridin-3-yl)methanamine dihydrochloride

Structural Information

Molecular Formula
C7H7F3N2
SMILES
C1=C(C=NC=C1C(F)(F)F)CN
InChI
InChI=1S/C7H7F3N2/c8-7(9,10)6-1-5(2-11)3-12-4-6/h1,3-4H,2,11H2
InChIKey
YYZHUSBRLJVFTG-UHFFFAOYSA-N
Compound name
[5-(trifluoromethyl)pyridin-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
Patents

176.05614 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.06342 131.9
[M+Na]+ 199.04536 141.0
[M-H]- 175.04886 130.2
[M+NH4]+ 194.08996 150.4
[M+K]+ 215.01930 138.0
[M+H-H2O]+ 159.05340 123.3
[M+HCOO]- 221.05434 151.4
[M+CH3COO]- 235.06999 181.1
[M+Na-2H]- 197.03081 138.6
[M]+ 176.05559 126.1
[M]- 176.05669 126.1
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