CID 52961

74192-74-8

Structural Information

Molecular Formula
C16H17NO
SMILES
COC1=CC=CC=C1C2=CC=CC3=C2CNCC3
InChI
InChI=1S/C16H17NO/c1-18-16-8-3-2-6-14(16)13-7-4-5-12-9-10-17-11-15(12)13/h2-8,17H,9-11H2,1H3
InChIKey
RVFFYFPIZYIKEY-UHFFFAOYSA-N
Compound name
8-(2-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

239.13101 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.13829 155.6
[M+Na]+ 262.12023 171.0
[M+NH4]+ 257.16483 165.5
[M+K]+ 278.09417 161.9
[M-H]- 238.12373 160.9
[M+Na-2H]- 260.10568 164.6
[M]+ 239.13046 159.5
[M]- 239.13156 159.5
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