CID 105460136

Methyl 6-hydroxy-1,2,3,4-tetrahydroquinoline-4-carboxylate

Structural Information

Molecular Formula
C11H13NO3
SMILES
COC(=O)C1CCNC2=C1C=C(C=C2)O
InChI
InChI=1S/C11H13NO3/c1-15-11(14)8-4-5-12-10-3-2-7(13)6-9(8)10/h2-3,6,8,12-13H,4-5H2,1H3
InChIKey
VVDVMCCPOHAPKW-UHFFFAOYSA-N
Compound name
methyl 6-hydroxy-1,2,3,4-tetrahydroquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.08954 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.09682 144.0
[M+Na]+ 230.07876 150.9
[M-H]- 206.08226 144.3
[M+NH4]+ 225.12336 161.3
[M+K]+ 246.05270 147.8
[M+H-H2O]+ 190.08680 137.8
[M+HCOO]- 252.08774 160.4
[M+CH3COO]- 266.10339 180.9
[M+Na-2H]- 228.06421 149.0
[M]+ 207.08899 141.1
[M]- 207.09009 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.