CID 119013651

6-((tert-butoxycarbonyl)amino)benzofuran-3-carboxylic acid

Structural Information

Molecular Formula
C14H15NO5
SMILES
CC(C)(C)OC(=O)NC1=CC2=C(C=C1)C(=CO2)C(=O)O
InChI
InChI=1S/C14H15NO5/c1-14(2,3)20-13(18)15-8-4-5-9-10(12(16)17)7-19-11(9)6-8/h4-7H,1-3H3,(H,15,18)(H,16,17)
InChIKey
IKGIUAWUPNIMLY-UHFFFAOYSA-N
Compound name
6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-benzofuran-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.09503 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.10231 160.7
[M+Na]+ 300.08425 168.9
[M-H]- 276.08775 165.5
[M+NH4]+ 295.12885 177.7
[M+K]+ 316.05819 168.4
[M+H-H2O]+ 260.09229 155.4
[M+HCOO]- 322.09323 182.1
[M+CH3COO]- 336.10888 197.3
[M+Na-2H]- 298.06970 166.3
[M]+ 277.09448 166.0
[M]- 277.09558 166.0
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.