CID 54594420

925940-40-5

Structural Information

Molecular Formula
C16H26BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)OCCN(C)C
InChI
InChI=1S/C16H26BNO3/c1-15(2)16(3,4)21-17(20-15)13-8-7-9-14(12-13)19-11-10-18(5)6/h7-9,12H,10-11H2,1-6H3
InChIKey
QEVHVNXLEMJPMB-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

291.20056 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.20784 165.7
[M+Na]+ 314.18978 173.0
[M-H]- 290.19328 175.2
[M+NH4]+ 309.23438 185.2
[M+K]+ 330.16372 174.5
[M+H-H2O]+ 274.19782 160.3
[M+HCOO]- 336.19876 187.4
[M+CH3COO]- 350.21441 208.3
[M+Na-2H]- 312.17523 170.1
[M]+ 291.20001 171.8
[M]- 291.20111 171.8
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