CID 45105

6,7-diethoxy-1,2,3,4-tetrahydroisoquinolinium chloride

Structural Information

Molecular Formula
C13H19NO2
SMILES
CCOC1=C(C=C2CNCCC2=C1)OCC
InChI
InChI=1S/C13H19NO2/c1-3-15-12-7-10-5-6-14-9-11(10)8-13(12)16-4-2/h7-8,14H,3-6,9H2,1-2H3
InChIKey
SFFCFYBFMSQXRO-UHFFFAOYSA-N
Compound name
6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

45
Patents

221.14159 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.148866 150.7
[M+Na]+ 244.130808 157.1
[M-H]- 220.134314 151.8
[M+NH4]+ 239.175413 168.3
[M+K]+ 260.104748 153.9
[M+H-H2O]+ 204.138850 143.6
[M+HCOO]- 266.139791 168.5
[M+CH3COO]- 280.155441 187.8
[M+Na-2H]- 242.116256 156.1
[M]+ 221.14104142 150.2
[M]- 221.14213858 150.2
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