CID 3863265

475102-14-8

Structural Information

Molecular Formula
C14H18BNO4
SMILES
B(C1=CC2=C(N1C(=O)OC(C)(C)C)C=CC(=C2)C)(O)O
InChI
InChI=1S/C14H18BNO4/c1-9-5-6-11-10(7-9)8-12(15(18)19)16(11)13(17)20-14(2,3)4/h5-8,18-19H,1-4H3
InChIKey
PEOOUPNYKOKTRH-UHFFFAOYSA-N
Compound name
[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

275.13287 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.14015 161.8
[M+Na]+ 298.12209 172.3
[M+NH4]+ 293.16669 167.5
[M+K]+ 314.09603 170.9
[M-H]- 274.12559 160.4
[M+Na-2H]- 296.10754 164.5
[M]+ 275.13232 162.7
[M]- 275.13342 162.7
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