CID 165769544

2413897-76-2

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]+ 264.123026 159.0
[M+Na]+ 286.104968 166.6
[M-H]- 262.108474 161.0
[M+NH4]+ 281.149573 175.2
[M+K]+ 302.078908 164.4
[M+H-H2O]+ 246.113010 152.9
[M+HCOO]- 308.113951 174.7
[M+CH3COO]- 322.129601 194.1
[M+Na-2H]- 284.090416 163.3
[M]+ 263.11520142 159.6
[M]- 263.11629858 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.