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]+ 182.07872 134.6
[M+Na]+ 204.06066 142.5
[M-H]- 180.06416 132.8
[M+NH4]+ 199.10526 153.4
[M+K]+ 220.03460 141.1
[M+H-H2O]+ 164.06870 126.2
[M+HCOO]- 226.06964 151.1
[M+CH3COO]- 240.08529 179.1
[M+Na-2H]- 202.04611 140.0
[M]+ 181.07089 129.0
[M]- 181.07199 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.