CID 44754854

642494-36-8

Structural Information

Molecular Formula
C14H18BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C=CN3
InChI
InChI=1S/C14H18BNO2/c1-13(2)14(3,4)18-15(17-13)11-6-5-10-7-8-16-12(10)9-11/h5-9,16H,1-4H3
InChIKey
VNDFXJNIKZCQRY-UHFFFAOYSA-N
Compound name
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

323
Patents

243.14307 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.15035 150.5
[M+Na]+ 266.13229 161.7
[M-H]- 242.13579 158.1
[M+NH4]+ 261.17689 172.6
[M+K]+ 282.10623 159.8
[M+H-H2O]+ 226.14033 145.9
[M+HCOO]- 288.14127 170.5
[M+CH3COO]- 302.15692 164.7
[M+Na-2H]- 264.11774 156.2
[M]+ 243.14252 153.7
[M]- 243.14362 153.7
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