CID 10774612

(+-)-cis-2-methyl-1,2,3,4-tetrahydro-quinoline-4-carboxylic acid methyl ester

Structural Information

Molecular Formula
C12H15NO2
SMILES
C[C@@H]1C[C@@H](C2=CC=CC=C2N1)C(=O)OC
InChI
InChI=1S/C12H15NO2/c1-8-7-10(12(14)15-2)9-5-3-4-6-11(9)13-8/h3-6,8,10,13H,7H2,1-2H3/t8-,10+/m1/s1
InChIKey
HUSNZWYHFRIZPG-SCZZXKLOSA-N
Compound name
methyl (2R,4S)-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

205.11028 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 145.2
[M+Na]+ 228.09950 152.1
[M-H]- 204.10300 146.7
[M+NH4]+ 223.14410 163.4
[M+K]+ 244.07344 149.1
[M+H-H2O]+ 188.10754 138.6
[M+HCOO]- 250.10848 162.5
[M+CH3COO]- 264.12413 184.2
[M+Na-2H]- 226.08495 150.0
[M]+ 205.10973 142.9
[M]- 205.11083 142.9
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