CID 57356919

953411-16-0

Structural Information

Molecular Formula
C13H18BN3O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)NN=C3N
InChI
InChI=1S/C13H18BN3O2/c1-12(2)13(3,4)19-14(18-12)8-5-6-10-9(7-8)11(15)17-16-10/h5-7H,1-4H3,(H3,15,16,17)
InChIKey
IVUMUNXPWHOTHY-UHFFFAOYSA-N
Compound name
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

259.1492 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.15648 154.8
[M+Na]+ 282.13842 166.4
[M-H]- 258.14192 161.0
[M+NH4]+ 277.18302 174.6
[M+K]+ 298.11236 164.2
[M+H-H2O]+ 242.14646 149.3
[M+HCOO]- 304.14740 174.2
[M+CH3COO]- 318.16305 168.2
[M+Na-2H]- 280.12387 159.7
[M]+ 259.14865 157.1
[M]- 259.14975 157.1
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