CID 20618975

Methyl 2-(1,2,3,4-tetrahydroquinolin-6-yl)acetate

Structural Information

Molecular Formula
C12H15NO2
SMILES
COC(=O)CC1=CC2=C(C=C1)NCCC2
InChI
InChI=1S/C12H15NO2/c1-15-12(14)8-9-4-5-11-10(7-9)3-2-6-13-11/h4-5,7,13H,2-3,6,8H2,1H3
InChIKey
UYFORMVZTGTRMA-UHFFFAOYSA-N
Compound name
methyl 2-(1,2,3,4-tetrahydroquinolin-6-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

205.11028 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 145.3
[M+Na]+ 228.09950 151.3
[M-H]- 204.10300 146.4
[M+NH4]+ 223.14410 163.2
[M+K]+ 244.07344 148.2
[M+H-H2O]+ 188.10754 138.5
[M+HCOO]- 250.10848 162.7
[M+CH3COO]- 264.12413 183.0
[M+Na-2H]- 226.08495 150.9
[M]+ 205.10973 142.7
[M]- 205.11083 142.7
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