CID 132313509

Tert-butyl 3-(1,2,3,4-tetrahydroquinolin-3-yl)propanoate

Structural Information

Molecular Formula
C16H23NO2
SMILES
CC(C)(C)OC(=O)CCC1CC2=CC=CC=C2NC1
InChI
InChI=1S/C16H23NO2/c1-16(2,3)19-15(18)9-8-12-10-13-6-4-5-7-14(13)17-11-12/h4-7,12,17H,8-11H2,1-3H3
InChIKey
MILOCAMKWNKFJS-UHFFFAOYSA-N
Compound name
tert-butyl 3-(1,2,3,4-tetrahydroquinolin-3-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.17288 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.18016 164.3
[M+Na]+ 284.16210 169.1
[M-H]- 260.16560 165.0
[M+NH4]+ 279.20670 180.1
[M+K]+ 300.13604 165.5
[M+H-H2O]+ 244.17014 157.5
[M+HCOO]- 306.17108 178.7
[M+CH3COO]- 320.18673 194.8
[M+Na-2H]- 282.14755 168.5
[M]+ 261.17233 162.6
[M]- 261.17343 162.6
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

No patent data available for this compound.