CID 594375

7-methoxyisoquinoline

Structural Information

Molecular Formula
C10H9NO
SMILES
COC1=CC2=C(C=C1)C=CN=C2
InChI
InChI=1S/C10H9NO/c1-12-10-3-2-8-4-5-11-7-9(8)6-10/h2-7H,1H3
InChIKey
PNNUXNXZDJVGSB-UHFFFAOYSA-N
Compound name
7-methoxyisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

206
Patents

159.06842 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.07570 130.5
[M+Na]+ 182.05764 146.1
[M+NH4]+ 177.10224 140.7
[M+K]+ 198.03158 138.2
[M-H]- 158.06114 133.9
[M+Na-2H]- 180.04309 139.7
[M]+ 159.06787 133.9
[M]- 159.06897 133.9
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