CID 82575697

1-(7-methoxyisoquinolin-1-yl)ethan-1-amine

Structural Information

Molecular Formula
C12H14N2O
SMILES
CC(C1=NC=CC2=C1C=C(C=C2)OC)N
InChI
InChI=1S/C12H14N2O/c1-8(13)12-11-7-10(15-2)4-3-9(11)5-6-14-12/h3-8H,13H2,1-2H3
InChIKey
WDDOWWSMIIQTQZ-UHFFFAOYSA-N
Compound name
1-(7-methoxyisoquinolin-1-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.11061 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.117886 144.3
[M+Na]+ 225.099828 152.6
[M-H]- 201.103334 147.3
[M+NH4]+ 220.144433 162.9
[M+K]+ 241.073768 149.6
[M+H-H2O]+ 185.107870 137.2
[M+HCOO]- 247.108811 166.1
[M+CH3COO]- 261.124461 189.8
[M+Na-2H]- 223.085276 150.9
[M]+ 202.11006142 144.4
[M]- 202.11115858 144.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.