CID 10631570

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

Structural Information

Molecular Formula
C11H13NO2
SMILES
COC(=O)C1CCNC2=CC=CC=C12
InChI
InChI=1S/C11H13NO2/c1-14-11(13)9-6-7-12-10-5-3-2-4-8(9)10/h2-5,9,12H,6-7H2,1H3
InChIKey
LHPKFPPTKHGWCC-UHFFFAOYSA-N
Compound name
methyl 1,2,3,4-tetrahydroquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

191.09464 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10192 140.7
[M+Na]+ 214.08386 147.1
[M-H]- 190.08736 142.0
[M+NH4]+ 209.12846 159.1
[M+K]+ 230.05780 144.3
[M+H-H2O]+ 174.09190 134.1
[M+HCOO]- 236.09284 158.4
[M+CH3COO]- 250.10849 180.0
[M+Na-2H]- 212.06931 146.8
[M]+ 191.09409 137.7
[M]- 191.09519 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

literature stripe

Patent stripe

patents stripe