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]+ 260.200876 164.1
[M+Na]+ 282.182818 168.9
[M-H]- 258.186324 168.4
[M+NH4]+ 277.227423 179.5
[M+K]+ 298.156758 165.6
[M+H-H2O]+ 242.190860 155.5
[M+HCOO]- 304.191801 182.5
[M+CH3COO]- 318.207451 199.4
[M+Na-2H]- 280.168266 165.9
[M]+ 259.19305142 163.4
[M]- 259.19414858 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.