CID 22674045

1-methoxyisoquinolin-6-amine

Structural Information

Molecular Formula
C10H10N2O
SMILES
COC1=NC=CC2=C1C=CC(=C2)N
InChI
InChI=1S/C10H10N2O/c1-13-10-9-3-2-8(11)6-7(9)4-5-12-10/h2-6H,11H2,1H3
InChIKey
IRVZMXJKUUYKDG-UHFFFAOYSA-N
Compound name
1-methoxyisoquinolin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

174.07932 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.086596 134.4
[M+Na]+ 197.068538 144.0
[M-H]- 173.072044 137.7
[M+NH4]+ 192.113143 154.3
[M+K]+ 213.042478 140.9
[M+H-H2O]+ 157.076580 127.7
[M+HCOO]- 219.077521 158.0
[M+CH3COO]- 233.093171 182.8
[M+Na-2H]- 195.053986 143.4
[M]+ 174.07877142 134.5
[M]- 174.07986858 134.5
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

patents stripe