CID 417288

7-methoxy-1,2,3,4-tetrahydroisoquinoline

Structural Information

Molecular Formula
C10H13NO
SMILES
COC1=CC2=C(CCNC2)C=C1
InChI
InChI=1S/C10H13NO/c1-12-10-3-2-8-4-5-11-7-9(8)6-10/h2-3,6,11H,4-5,7H2,1H3
InChIKey
BPSLFSXCUJYFIR-UHFFFAOYSA-N
Compound name
7-methoxy-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

307
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 134.2
[M+Na]+ 186.08894 147.4
[M+NH4]+ 181.13354 143.9
[M+K]+ 202.06288 140.1
[M-H]- 162.09244 136.7
[M+Na-2H]- 184.07439 140.8
[M]+ 163.09917 136.8
[M]- 163.10027 136.8
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