CID 164860830

2818960-40-4

Structural Information

Molecular Formula
C14H20BN3O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C3=C(C=C2)N(N=N3)C)C
InChI
InChI=1S/C14H20BN3O2/c1-9-10(7-8-11-12(9)16-17-18(11)6)15-19-13(2,3)14(4,5)20-15/h7-8H,1-6H3
InChIKey
RKPUMSXKKJPMSU-UHFFFAOYSA-N
Compound name
1,4-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzotriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

273.16486 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.17214 157.1
[M+Na]+ 296.15408 170.4
[M-H]- 272.15758 163.9
[M+NH4]+ 291.19868 176.5
[M+K]+ 312.12802 169.2
[M+H-H2O]+ 256.16212 150.8
[M+HCOO]- 318.16306 175.9
[M+CH3COO]- 332.17871 171.2
[M+Na-2H]- 294.13953 161.2
[M]+ 273.16431 163.9
[M]- 273.16541 163.9
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