CID 39356

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

Structural Information

Molecular Formula
C10H13NO
SMILES
COC1=CC2=C(CNCC2)C=C1
InChI
InChI=1S/C10H13NO/c1-12-10-3-2-9-7-11-5-4-8(9)6-10/h2-3,6,11H,4-5,7H2,1H3
InChIKey
YYTAYINRPUJPNH-UHFFFAOYSA-N
Compound name
6-methoxy-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

802
Patents

163.09972 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.106996 133.7
[M+Na]+ 186.088938 140.6
[M-H]- 162.092444 135.0
[M+NH4]+ 181.133543 153.4
[M+K]+ 202.062878 137.5
[M+H-H2O]+ 146.096980 127.3
[M+HCOO]- 208.097921 152.4
[M+CH3COO]- 222.113571 175.6
[M+Na-2H]- 184.074386 141.5
[M]+ 163.09917142 130.3
[M]- 163.10026858 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