CID 75176001

2-(4-(1-azidoethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C14H20BN3O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(C)N=[N+]=[N-]
InChI
InChI=1S/C14H20BN3O2/c1-10(17-18-16)11-6-8-12(9-7-11)15-19-13(2,3)14(4,5)20-15/h6-10H,1-5H3
InChIKey
UCSBEGRVQCFRLC-UHFFFAOYSA-N
Compound name
2-[4-(1-azidoethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.16486 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.17214 160.7
[M+Na]+ 296.15408 167.5
[M-H]- 272.15758 171.4
[M+NH4]+ 291.19868 180.2
[M+K]+ 312.12802 163.6
[M+H-H2O]+ 256.16212 159.3
[M+HCOO]- 318.16306 186.8
[M+CH3COO]- 332.17871 202.9
[M+Na-2H]- 294.13953 169.2
[M]+ 273.16431 161.2
[M]- 273.16541 161.2
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

No patent data available for this compound.