CID 18071174

4-(4-ethoxyphenyl)-1,2,3,6-tetrahydropyridine

Structural Information

Molecular Formula
C13H17NO
SMILES
CCOC1=CC=C(C=C1)C2=CCNCC2
InChI
InChI=1S/C13H17NO/c1-2-15-13-5-3-11(4-6-13)12-7-9-14-10-8-12/h3-7,14H,2,8-10H2,1H3
InChIKey
BCROUNLZXKTVIU-UHFFFAOYSA-N
Compound name
4-(4-ethoxyphenyl)-1,2,3,6-tetrahydropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.13101 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.13829 146.3
[M+Na]+ 226.12023 151.8
[M-H]- 202.12373 149.5
[M+NH4]+ 221.16483 163.0
[M+K]+ 242.09417 148.0
[M+H-H2O]+ 186.12827 138.5
[M+HCOO]- 248.12921 165.6
[M+CH3COO]- 262.14486 182.9
[M+Na-2H]- 224.10568 151.8
[M]+ 203.13046 142.6
[M]- 203.13156 142.6
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.