CID 75176003

N-ethyl-n-isopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

Structural Information

Molecular Formula
C17H28BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)N(CC)C(C)C
InChI
InChI=1S/C17H28BNO2/c1-8-19(13(2)3)15-11-9-14(10-12-15)18-20-16(4,5)17(6,7)21-18/h9-13H,8H2,1-7H3
InChIKey
SEHOATOILCJMAG-UHFFFAOYSA-N
Compound name
N-ethyl-N-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.2213 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.22858 167.4
[M+Na]+ 312.21052 174.2
[M-H]- 288.21402 176.9
[M+NH4]+ 307.25512 187.0
[M+K]+ 328.18446 175.3
[M+H-H2O]+ 272.21856 162.2
[M+HCOO]- 334.21950 187.5
[M+CH3COO]- 348.23515 210.1
[M+Na-2H]- 310.19597 170.0
[M]+ 289.22075 171.7
[M]- 289.22185 171.7
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.