CID 21950627

176641-35-3

Structural Information

Molecular Formula
C12H15NO3
SMILES
COC1=CC2=C(C=C1)NC(CC2)C(=O)OC
InChI
InChI=1S/C12H15NO3/c1-15-9-4-6-10-8(7-9)3-5-11(13-10)12(14)16-2/h4,6-7,11,13H,3,5H2,1-2H3
InChIKey
DSKYJEWLFNHBSW-UHFFFAOYSA-N
Compound name
methyl 6-methoxy-1,2,3,4-tetrahydroquinoline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

221.1052 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.11248 148.1
[M+Na]+ 244.09442 154.9
[M-H]- 220.09792 149.6
[M+NH4]+ 239.13902 165.6
[M+K]+ 260.06836 152.5
[M+H-H2O]+ 204.10246 141.3
[M+HCOO]- 266.10340 165.7
[M+CH3COO]- 280.11905 186.3
[M+Na-2H]- 242.07987 153.0
[M]+ 221.10465 147.3
[M]- 221.10575 147.3
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