CID 18545441

1-methoxyisoquinolin-5-amine

Structural Information

Molecular Formula
C10H10N2O
SMILES
COC1=NC=CC2=C1C=CC=C2N
InChI
InChI=1S/C10H10N2O/c1-13-10-8-3-2-4-9(11)7(8)5-6-12-10/h2-6H,11H2,1H3
InChIKey
WMABIBWLZLPHKF-UHFFFAOYSA-N
Compound name
1-methoxyisoquinolin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

174.07932 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.08660 134.4
[M+Na]+ 197.06854 144.0
[M-H]- 173.07204 137.7
[M+NH4]+ 192.11314 154.3
[M+K]+ 213.04248 140.9
[M+H-H2O]+ 157.07658 127.7
[M+HCOO]- 219.07752 158.0
[M+CH3COO]- 233.09317 182.8
[M+Na-2H]- 195.05399 143.4
[M]+ 174.07877 134.5
[M]- 174.07987 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