CID 283526

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

Structural Information

Molecular Formula
C11H13NO2
SMILES
COC(=O)C1CC2=CC=CC=C2NC1
InChI
InChI=1S/C11H13NO2/c1-14-11(13)9-6-8-4-2-3-5-10(8)12-7-9/h2-5,9,12H,6-7H2,1H3
InChIKey
ARAIDTMLOPPTPE-UHFFFAOYSA-N
Compound name
methyl 1,2,3,4-tetrahydroquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
Patents

191.09464 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.101916 140.7
[M+Na]+ 214.083858 147.1
[M-H]- 190.087364 142.0
[M+NH4]+ 209.128463 159.1
[M+K]+ 230.057798 144.3
[M+H-H2O]+ 174.091900 134.1
[M+HCOO]- 236.092841 158.4
[M+CH3COO]- 250.108491 180.0
[M+Na-2H]- 212.069306 146.8
[M]+ 191.09409142 137.7
[M]- 191.09518858 137.7
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