CID 66882064

955979-23-4

Structural Information

Molecular Formula
C15H17BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC3=C2C=CN3)C#N
InChI
InChI=1S/C15H17BN2O2/c1-14(2)15(3,4)20-16(19-14)12-7-10(9-17)8-13-11(12)5-6-18-13/h5-8,18H,1-4H3
InChIKey
GZHUWMIKULBEKV-UHFFFAOYSA-N
Compound name
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

268.1383 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.145576 156.9
[M+Na]+ 291.127518 171.3
[M-H]- 267.131024 162.8
[M+NH4]+ 286.172123 175.9
[M+K]+ 307.101458 165.0
[M+H-H2O]+ 251.135560 145.0
[M+HCOO]- 313.136501 173.2
[M+CH3COO]- 327.152151 169.1
[M+Na-2H]- 289.112966 161.2
[M]+ 268.13775142 155.3
[M]- 268.13884858 155.3
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