CID 18375637

317830-84-5

Structural Information

Molecular Formula
C13H16BNO4
SMILES
B(C1=CC2=C(C=C1)N(C=C2)C(=O)OC(C)(C)C)(O)O
InChI
InChI=1S/C13H16BNO4/c1-13(2,3)19-12(16)15-7-6-9-8-10(14(17)18)4-5-11(9)15/h4-8,17-18H,1-3H3
InChIKey
LMSHKSBYXDUUBM-UHFFFAOYSA-N
Compound name
[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-5-yl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

261.11725 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.12453 157.4
[M+Na]+ 284.10647 167.7
[M+NH4]+ 279.15107 163.3
[M+K]+ 300.08041 166.4
[M-H]- 260.10997 155.9
[M+Na-2H]- 282.09192 160.6
[M]+ 261.11670 158.2
[M]- 261.11780 158.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe