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 159.6
[M+Na]+ 287.10022 170.0
[M+NH4]+ 282.14482 164.8
[M+K]+ 303.07416 166.6
[M-H]- 263.10372 157.8
[M+Na-2H]- 285.08567 161.9
[M]+ 264.11045 160.2
[M]- 264.11155 160.2
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

No patent data available for this compound.