CID 129951114

1824074-89-6

Structural Information

Molecular Formula
C13H16N2O4
SMILES
CC(C)(C)OC(=O)N1CC(=O)NC2=C1C=C(C=C2)O
InChI
InChI=1S/C13H16N2O4/c1-13(2,3)19-12(18)15-7-11(17)14-9-5-4-8(16)6-10(9)15/h4-6,16H,7H2,1-3H3,(H,14,17)
InChIKey
IACJJXKHYBNSTG-UHFFFAOYSA-N
Compound name
tert-butyl 7-hydroxy-3-oxo-2,4-dihydroquinoxaline-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.111 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.11828 160.8
[M+Na]+ 287.10022 168.4
[M-H]- 263.10372 160.0
[M+NH4]+ 282.14482 174.8
[M+K]+ 303.07416 165.3
[M+H-H2O]+ 247.10826 154.2
[M+HCOO]- 309.10920 173.9
[M+CH3COO]- 323.12485 191.5
[M+Na-2H]- 285.08567 165.0
[M]+ 264.11045 159.6
[M]- 264.11155 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.