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

47
Patents

221.14159 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.14887 150.7
[M+Na]+ 244.13081 157.1
[M-H]- 220.13431 151.8
[M+NH4]+ 239.17541 168.3
[M+K]+ 260.10475 153.9
[M+H-H2O]+ 204.13885 143.6
[M+HCOO]- 266.13979 168.5
[M+CH3COO]- 280.15544 187.8
[M+Na-2H]- 242.11626 156.1
[M]+ 221.14104 150.2
[M]- 221.14214 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