CID 24844580

Pyridine, 1,2,3,6-tetrahydro-1-(2-(thymyloxy)ethyl)-, hydrochloride

Structural Information

Molecular Formula
C17H25NO
SMILES
CC1=CC(=C(C=C1)C(C)C)OCCN2CCC=CC2
InChI
InChI=1S/C17H25NO/c1-14(2)16-8-7-15(3)13-17(16)19-12-11-18-9-5-4-6-10-18/h4-5,7-8,13-14H,6,9-12H2,1-3H3
InChIKey
MTCGHTHWSJHPHC-UHFFFAOYSA-N
Compound name
1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-3,6-dihydro-2H-pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.1936 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.20088 164.1
[M+Na]+ 282.18282 168.9
[M-H]- 258.18632 168.4
[M+NH4]+ 277.22742 179.5
[M+K]+ 298.15676 165.6
[M+H-H2O]+ 242.19086 155.5
[M+HCOO]- 304.19180 182.5
[M+CH3COO]- 318.20745 199.4
[M+Na-2H]- 280.16827 165.9
[M]+ 259.19305 163.4
[M]- 259.19415 163.4
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.