CID 10012196

6-methoxy-3,4-dihydroisoquinoline

Structural Information

Molecular Formula
C10H11NO
SMILES
COC1=CC2=C(C=C1)C=NCC2
InChI
InChI=1S/C10H11NO/c1-12-10-3-2-9-7-11-5-4-8(9)6-10/h2-3,6-7H,4-5H2,1H3
InChIKey
ROFKDDMFBSDICG-UHFFFAOYSA-N
Compound name
6-methoxy-3,4-dihydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

161.08406 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.09134 132.1
[M+Na]+ 184.07328 146.8
[M+NH4]+ 179.11788 142.2
[M+K]+ 200.04722 139.0
[M-H]- 160.07678 135.3
[M+Na-2H]- 182.05873 140.3
[M]+ 161.08351 135.2
[M]- 161.08461 135.2
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