CID 75486941

2304635-05-8

Structural Information

Molecular Formula
C16H20BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C3C=CNC3=C2)C(=O)OC
InChI
InChI=1S/C16H20BNO4/c1-15(2)16(3,4)22-17(21-15)10-8-12(14(19)20-5)11-6-7-18-13(11)9-10/h6-9,18H,1-5H3
InChIKey
XGHMLVNOYJXFQB-UHFFFAOYSA-N
Compound name
methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.14853 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.15581 164.5
[M+Na]+ 324.13775 176.4
[M+NH4]+ 319.18235 174.2
[M+K]+ 340.11169 172.1
[M-H]- 300.14125 168.7
[M+Na-2H]- 322.12320 170.4
[M]+ 301.14798 167.7
[M]- 301.14908 167.7
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

No patent data available for this compound.