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

77
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 131.5
[M+Na]+ 184.07328 139.8
[M-H]- 160.07678 134.6
[M+NH4]+ 179.11788 152.1
[M+K]+ 200.04722 137.5
[M+H-H2O]+ 144.08132 124.8
[M+HCOO]- 206.08226 153.2
[M+CH3COO]- 220.09791 177.9
[M+Na-2H]- 182.05873 140.9
[M]+ 161.08351 131.4
[M]- 161.08461 131.4
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