CID 165942577

4-{[(tert-butoxy)carbonyl]amino}furan-3-carboxylic acid

Structural Information

Molecular Formula
C10H13NO5
SMILES
CC(C)(C)OC(=O)NC1=COC=C1C(=O)O
InChI
InChI=1S/C10H13NO5/c1-10(2,3)16-9(14)11-7-5-15-4-6(7)8(12)13/h4-5H,1-3H3,(H,11,14)(H,12,13)
InChIKey
OSXUPNWBPRABPU-UHFFFAOYSA-N
Compound name
4-[(2-methylpropan-2-yl)oxycarbonylamino]furan-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.07938 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.08666 148.4
[M+Na]+ 250.06860 155.1
[M-H]- 226.07210 151.7
[M+NH4]+ 245.11320 166.0
[M+K]+ 266.04254 156.0
[M+H-H2O]+ 210.07664 143.3
[M+HCOO]- 272.07758 169.8
[M+CH3COO]- 286.09323 186.6
[M+Na-2H]- 248.05405 152.7
[M]+ 227.07883 151.4
[M]- 227.07993 151.4
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.