CID 56737687

Tert-butyl({[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl})amine

Structural Information

Molecular Formula
C17H28BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CNC(C)(C)C
InChI
InChI=1S/C17H28BNO2/c1-15(2,3)19-12-13-8-10-14(11-9-13)18-20-16(4,5)17(6,7)21-18/h8-11,19H,12H2,1-7H3
InChIKey
QJBWHEPPDGGWLQ-UHFFFAOYSA-N
Compound name
2-methyl-N-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

289.2213 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.22858 166.3
[M+Na]+ 312.21052 173.7
[M-H]- 288.21402 174.6
[M+NH4]+ 307.25512 185.6
[M+K]+ 328.18446 173.6
[M+H-H2O]+ 272.21856 161.9
[M+HCOO]- 334.21950 185.5
[M+CH3COO]- 348.23515 205.6
[M+Na-2H]- 310.19597 172.1
[M]+ 289.22075 169.6
[M]- 289.22185 169.6
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