CID 59190817

1065066-63-8

Structural Information

Molecular Formula

C₁₁H₁₃NO₂

SMILES

CN1CCC2=C(C1)C=C(C=C2)C(=O)O

InChI

InChI=1S/C11H13NO2/c1-12-5-4-8-2-3-9(11(13)14)6-10(8)7-12/h2-3,6H,4-5,7H2,1H3,(H,13,14)

InChIKey

VGQMQYBEZDGNSS-UHFFFAOYSA-N

Compound name

2-methyl-3,4-dihydro-1H-isoquinoline-7-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 191.09464 Da
Monoisotopic Mass: -1.0
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]+	192.10192	140.8
[M+Na]+	214.08386	153.3
[M+NH4]+	209.12846	149.3
[M+K]+	230.05780	147.3
[M-H]-	190.08736	142.3
[M+Na-2H]-	212.06931	146.0
[M]+	191.09409	142.9
[M]-	191.09519	142.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe