CID 137838524

6-methoxy-5-(oxan-4-yl)-2,3,4,5-tetrahydropyridine

Structural Information

Molecular Formula
C11H19NO2
SMILES
COC1=NCCCC1C2CCOCC2
InChI
InChI=1S/C11H19NO2/c1-13-11-10(3-2-6-12-11)9-4-7-14-8-5-9/h9-10H,2-8H2,1H3
InChIKey
YJTSAFTXQVHGLL-UHFFFAOYSA-N
Compound name
6-methoxy-5-(oxan-4-yl)-2,3,4,5-tetrahydropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.14159 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.148866 145.5
[M+Na]+ 220.130808 149.2
[M-H]- 196.134314 150.0
[M+NH4]+ 215.175413 161.7
[M+K]+ 236.104748 149.1
[M+H-H2O]+ 180.138850 137.6
[M+HCOO]- 242.139791 161.9
[M+CH3COO]- 256.155441 181.9
[M+Na-2H]- 218.116256 150.2
[M]+ 197.14104142 140.6
[M]- 197.14213858 140.6
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.