CID 16228089

6-methoxy-3-(trifluoromethyl)-2,3,4,5-tetrahydropyridine

Structural Information

Molecular Formula
C7H10F3NO
SMILES
COC1=NCC(CC1)C(F)(F)F
InChI
InChI=1S/C7H10F3NO/c1-12-6-3-2-5(4-11-6)7(8,9)10/h5H,2-4H2,1H3
InChIKey
TZUAWIBCIKFDHL-UHFFFAOYSA-N
Compound name
6-methoxy-3-(trifluoromethyl)-2,3,4,5-tetrahydropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.07144 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.078716 134.6
[M+Na]+ 204.060658 142.5
[M-H]- 180.064164 132.8
[M+NH4]+ 199.105263 153.4
[M+K]+ 220.034598 141.1
[M+H-H2O]+ 164.068700 126.2
[M+HCOO]- 226.069641 151.1
[M+CH3COO]- 240.085291 179.1
[M+Na-2H]- 202.046106 140.0
[M]+ 181.07089142 129.0
[M]- 181.07198858 129.0
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

No patent data available for this compound.