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

65
Patents

268.1383 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.14558 156.9
[M+Na]+ 291.12752 171.3
[M-H]- 267.13102 162.8
[M+NH4]+ 286.17212 175.9
[M+K]+ 307.10146 165.0
[M+H-H2O]+ 251.13556 145.0
[M+HCOO]- 313.13650 173.2
[M+CH3COO]- 327.15215 169.1
[M+Na-2H]- 289.11297 161.2
[M]+ 268.13775 155.3
[M]- 268.13885 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