CID 130058494

1824632-17-8

Structural Information

Molecular Formula
C11H13NO3
SMILES
COC(=O)C1=CC2=C(CCCN2)C(=C1)O
InChI
InChI=1S/C11H13NO3/c1-15-11(14)7-5-9-8(10(13)6-7)3-2-4-12-9/h5-6,12-13H,2-4H2,1H3
InChIKey
WUNOAAAQHJMRGL-UHFFFAOYSA-N
Compound name
methyl 5-hydroxy-1,2,3,4-tetrahydroquinoline-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.08954 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.096816 144.0
[M+Na]+ 230.078758 150.9
[M-H]- 206.082264 144.3
[M+NH4]+ 225.123363 161.3
[M+K]+ 246.052698 147.8
[M+H-H2O]+ 190.086800 137.8
[M+HCOO]- 252.087741 160.4
[M+CH3COO]- 266.103391 180.9
[M+Na-2H]- 228.064206 149.0
[M]+ 207.08899142 141.1
[M]- 207.09008858 141.1
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.