CID 71757472

1362243-56-8

Structural Information

Molecular Formula
C13H18BN3O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N=NN3C
InChI
InChI=1S/C13H18BN3O2/c1-12(2)13(3,4)19-14(18-12)9-6-7-10-11(8-9)17(5)16-15-10/h6-8H,1-5H3
InChIKey
QLCHUVQJHLKHJN-UHFFFAOYSA-N
Compound name
1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzotriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

259.1492 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.15648 153.0
[M+Na]+ 282.13842 165.9
[M-H]- 258.14192 159.7
[M+NH4]+ 277.18302 172.7
[M+K]+ 298.11236 165.0
[M+H-H2O]+ 242.14646 146.5
[M+HCOO]- 304.14740 172.2
[M+CH3COO]- 318.16305 167.2
[M+Na-2H]- 280.12387 158.2
[M]+ 259.14865 159.0
[M]- 259.14975 159.0
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