CID 16244383

Methyl 1,2,3,4-tetrahydroquinoline-5-carboxylate

Structural Information

Molecular Formula
C11H13NO2
SMILES
COC(=O)C1=C2CCCNC2=CC=C1
InChI
InChI=1S/C11H13NO2/c1-14-11(13)9-4-2-6-10-8(9)5-3-7-12-10/h2,4,6,12H,3,5,7H2,1H3
InChIKey
IAFNLUJAFAXVAA-UHFFFAOYSA-N
Compound name
methyl 1,2,3,4-tetrahydroquinoline-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

191.09464 Da
Monoisotopic Mass

2.2
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

No literature data available for this compound.

Patent stripe

patents stripe