CID 165769544

Tert-butyl 6-hydroxy-4-oxo-1,2,3,4-tetrahydroquinoline-1-carboxylate

Structural Information

Molecular Formula
C14H17NO4
SMILES
CC(C)(C)OC(=O)N1CCC(=O)C2=C1C=CC(=C2)O
InChI
InChI=1S/C14H17NO4/c1-14(2,3)19-13(18)15-7-6-12(17)10-8-9(16)4-5-11(10)15/h4-5,8,16H,6-7H2,1-3H3
InChIKey
PKNAWHAAZFXAGI-UHFFFAOYSA-N
Compound name
tert-butyl 6-hydroxy-4-oxo-2,3-dihydroquinoline-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.11575 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.12303 159.0
[M+Na]+ 286.10497 166.6
[M-H]- 262.10847 161.0
[M+NH4]+ 281.14957 175.2
[M+K]+ 302.07891 164.4
[M+H-H2O]+ 246.11301 152.9
[M+HCOO]- 308.11395 174.7
[M+CH3COO]- 322.12960 194.1
[M+Na-2H]- 284.09042 163.3
[M]+ 263.11520 159.6
[M]- 263.11630 159.6
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.