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]+ 203.11789 144.3
[M+Na]+ 225.09983 152.6
[M-H]- 201.10333 147.3
[M+NH4]+ 220.14443 162.9
[M+K]+ 241.07377 149.6
[M+H-H2O]+ 185.10787 137.2
[M+HCOO]- 247.10881 166.1
[M+CH3COO]- 261.12446 189.8
[M+Na-2H]- 223.08528 150.9
[M]+ 202.11006 144.4
[M]- 202.11116 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.