CID 86767718

2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid

Structural Information

Molecular Formula
C11H11NO3
SMILES
CN1CC(C2=CC=CC=C2C1=O)C(=O)O
InChI
InChI=1S/C11H11NO3/c1-12-6-9(11(14)15)7-4-2-3-5-8(7)10(12)13/h2-5,9H,6H2,1H3,(H,14,15)
InChIKey
JNHXWZJXAAFTCW-UHFFFAOYSA-N
Compound name
2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

205.0739 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.08118 142.8
[M+Na]+ 228.06312 155.2
[M+NH4]+ 223.10772 150.4
[M+K]+ 244.03706 149.9
[M-H]- 204.06662 143.6
[M+Na-2H]- 226.04857 147.2
[M]+ 205.07335 144.6
[M]- 205.07445 144.6
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