CID 11379577

1-methyl-1,2,3,6-tetrahydropyridin-4-yl trifluoromethanesulfonate

Structural Information

Molecular Formula
C7H10F3NO3S
SMILES
CN1CCC(=CC1)OS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C7H10F3NO3S/c1-11-4-2-6(3-5-11)14-15(12,13)7(8,9)10/h2H,3-5H2,1H3
InChIKey
VLJCJEJRGHGDMQ-UHFFFAOYSA-N
Compound name
(1-methyl-3,6-dihydro-2H-pyridin-4-yl) trifluoromethanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

179
Patents

245.03336 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.04064 145.8
[M+Na]+ 268.02258 154.1
[M-H]- 244.02608 144.2
[M+NH4]+ 263.06718 162.3
[M+K]+ 283.99652 151.9
[M+H-H2O]+ 228.03062 137.6
[M+HCOO]- 290.03156 156.4
[M+CH3COO]- 304.04721 186.4
[M+Na-2H]- 266.00803 149.2
[M]+ 245.03281 143.5
[M]- 245.03391 143.5
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