CID 13948249

5-methoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride

Structural Information

Molecular Formula
C10H13NO
SMILES
COC1=CC=CC2=C1CCNC2
InChI
InChI=1S/C10H13NO/c1-12-10-4-2-3-8-7-11-6-5-9(8)10/h2-4,11H,5-7H2,1H3
InChIKey
MCJYXDLWQYGCIQ-UHFFFAOYSA-N
Compound name
5-methoxy-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

152
Patents

163.09972 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.10700 133.7
[M+Na]+ 186.08894 140.6
[M-H]- 162.09244 135.0
[M+NH4]+ 181.13354 153.4
[M+K]+ 202.06288 137.5
[M+H-H2O]+ 146.09698 127.3
[M+HCOO]- 208.09792 152.4
[M+CH3COO]- 222.11357 175.6
[M+Na-2H]- 184.07439 141.5
[M]+ 163.09917 130.3
[M]- 163.10027 130.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe