CID 11790261

157252-29-4

Structural Information

Molecular Formula

C₁₁H₁₀N₂O₂

SMILES

COC(=O)C1=C2C=NC=CC2=C(C=C1)N

InChI

InChI=1S/C11H10N2O2/c1-15-11(14)8-2-3-10(12)7-4-5-13-6-9(7)8/h2-6H,12H2,1H3

InChIKey

RWQZCIFREKJMPW-UHFFFAOYSA-N

Compound name

methyl 5-aminoisoquinoline-8-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 202.07423 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	203.08151	141.7
[M+Na]+	225.06345	150.7
[M-H]-	201.06695	144.9
[M+NH4]+	220.10805	160.2
[M+K]+	241.03739	147.9
[M+H-H2O]+	185.07149	134.7
[M+HCOO]-	247.07243	164.3
[M+CH3COO]-	261.08808	187.4
[M+Na-2H]-	223.04890	148.9
[M]+	202.07368	142.1
[M]-	202.07478	142.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe