CID 46738877

[5-({[(tert-butoxy)carbonyl]amino}methyl)furan-2-yl]boronic acid

Structural Information

Molecular Formula
C10H16BNO5
SMILES
B(C1=CC=C(O1)CNC(=O)OC(C)(C)C)(O)O
InChI
InChI=1S/C10H16BNO5/c1-10(2,3)17-9(13)12-6-7-4-5-8(16-7)11(14)15/h4-5,14-15H,6H2,1-3H3,(H,12,13)
InChIKey
CBDGXXNRURJOEV-UHFFFAOYSA-N
Compound name
[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]furan-2-yl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

241.11215 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.11943 153.1
[M+Na]+ 264.10137 158.7
[M-H]- 240.10487 154.8
[M+NH4]+ 259.14597 169.5
[M+K]+ 280.07531 159.2
[M+H-H2O]+ 224.10941 147.9
[M+HCOO]- 286.11035 172.6
[M+CH3COO]- 300.12600 187.5
[M+Na-2H]- 262.08682 156.5
[M]+ 241.11160 155.2
[M]- 241.11270 155.2
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

patents stripe