CID 44118299

2,2,2-trifluoro-1-(pyridin-3-yl)ethanamine

Structural Information

Molecular Formula
C7H7F3N2
SMILES
C1=CC(=CN=C1)C(C(F)(F)F)N
InChI
InChI=1S/C7H7F3N2/c8-7(9,10)6(11)5-2-1-3-12-4-5/h1-4,6H,11H2
InChIKey
ROWMBYANNAKARY-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-pyridin-3-ylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

176.05614 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.06342 132.0
[M+Na]+ 199.04536 139.8
[M-H]- 175.04886 130.0
[M+NH4]+ 194.08996 150.2
[M+K]+ 215.01930 137.4
[M+H-H2O]+ 159.05340 123.2
[M+HCOO]- 221.05434 150.6
[M+CH3COO]- 235.06999 180.8
[M+Na-2H]- 197.03081 138.2
[M]+ 176.05559 125.2
[M]- 176.05669 125.2
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