CID 131427581

Methyl 1-aminoisoquinoline-4-carboxylate

Structural Information

Molecular Formula
C11H10N2O2
SMILES
COC(=O)C1=CN=C(C2=CC=CC=C21)N
InChI
InChI=1S/C11H10N2O2/c1-15-11(14)9-6-13-10(12)8-5-3-2-4-7(8)9/h2-6H,1H3,(H2,12,13)
InChIKey
MOBWULGPNXZOIT-UHFFFAOYSA-N
Compound name
methyl 1-aminoisoquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.07423 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.08151 141.8
[M+Na]+ 225.06345 155.1
[M+NH4]+ 220.10805 150.0
[M+K]+ 241.03739 149.0
[M-H]- 201.06695 144.2
[M+Na-2H]- 223.04890 148.6
[M]+ 202.07368 144.3
[M]- 202.07478 144.3
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.