CID 56923809

1000068-23-4

Structural Information

Molecular Formula
C14H18BNO5
SMILES
B(C1=CC2=C(N1C(=O)OC(C)(C)C)C=CC=C2OC)(O)O
InChI
InChI=1S/C14H18BNO5/c1-14(2,3)21-13(17)16-10-6-5-7-11(20-4)9(10)8-12(16)15(18)19/h5-8,18-19H,1-4H3
InChIKey
BEXQWPHMBFKSLF-UHFFFAOYSA-N
Compound name
[4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

291.1278 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.13508 165.0
[M+Na]+ 314.11702 173.7
[M-H]- 290.12052 166.6
[M+NH4]+ 309.16162 181.4
[M+K]+ 330.09096 172.0
[M+H-H2O]+ 274.12506 159.5
[M+HCOO]- 336.12600 183.0
[M+CH3COO]- 350.14165 196.8
[M+Na-2H]- 312.10247 167.8
[M]+ 291.12725 170.5
[M]- 291.12835 170.5
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