CID 56828568

1-[(tert-butoxy)carbonyl]-1,2,3,4-tetrahydroquinoline-5-carboxylic acid

Structural Information

Molecular Formula
C15H19NO4
SMILES
CC(C)(C)OC(=O)N1CCCC2=C(C=CC=C21)C(=O)O
InChI
InChI=1S/C15H19NO4/c1-15(2,3)20-14(19)16-9-5-7-10-11(13(17)18)6-4-8-12(10)16/h4,6,8H,5,7,9H2,1-3H3,(H,17,18)
InChIKey
ZBAUJKDHNXTZOO-UHFFFAOYSA-N
Compound name
1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

277.1314 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.138676 163.4
[M+Na]+ 300.120618 169.3
[M-H]- 276.124124 164.8
[M+NH4]+ 295.165223 178.6
[M+K]+ 316.094558 167.3
[M+H-H2O]+ 260.128660 157.0
[M+HCOO]- 322.129601 177.7
[M+CH3COO]- 336.145251 196.7
[M+Na-2H]- 298.106066 166.6
[M]+ 277.13085142 163.2
[M]- 277.13194858 163.2
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