CID 44629855

920304-57-0

Structural Information

Molecular Formula
C16H26BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)N(CC)CC
InChI
InChI=1S/C16H26BNO2/c1-7-18(8-2)14-11-9-13(10-12-14)17-19-15(3,4)16(5,6)20-17/h9-12H,7-8H2,1-6H3
InChIKey
WVPMYKCIKQQJIV-UHFFFAOYSA-N
Compound name
N,N-diethyl-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

77
Patents

275.20566 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.21294 162.5
[M+Na]+ 298.19488 170.0
[M-H]- 274.19838 172.1
[M+NH4]+ 293.23948 182.8
[M+K]+ 314.16882 170.9
[M+H-H2O]+ 258.20292 157.3
[M+HCOO]- 320.20386 184.0
[M+CH3COO]- 334.21951 206.2
[M+Na-2H]- 296.18033 166.8
[M]+ 275.20511 167.1
[M]- 275.20621 167.1
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

No patent data available for this compound.