CID 119013651

1956335-17-3

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]+ 278.102306 160.7
[M+Na]+ 300.084248 168.9
[M-H]- 276.087754 165.5
[M+NH4]+ 295.128853 177.7
[M+K]+ 316.058188 168.4
[M+H-H2O]+ 260.092290 155.4
[M+HCOO]- 322.093231 182.1
[M+CH3COO]- 336.108881 197.3
[M+Na-2H]- 298.069696 166.3
[M]+ 277.09448142 166.0
[M]- 277.09557858 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.