CID 139270028

5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-amine

Structural Information

Molecular Formula
C16H20BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3C=CC=C(C3=CC=C2)N
InChI
InChI=1S/C16H20BNO2/c1-15(2)16(3,4)20-17(19-15)13-9-5-8-12-11(13)7-6-10-14(12)18/h5-10H,18H2,1-4H3
InChIKey
HVJOQZJVGFNGBK-UHFFFAOYSA-N
Compound name
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.15872 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.165996 160.2
[M+Na]+ 292.147938 170.2
[M-H]- 268.151444 169.6
[M+NH4]+ 287.192543 181.1
[M+K]+ 308.121878 168.5
[M+H-H2O]+ 252.155980 154.7
[M+HCOO]- 314.156921 180.4
[M+CH3COO]- 328.172571 173.7
[M+Na-2H]- 290.133386 165.9
[M]+ 269.15817142 161.9
[M]- 269.15926858 161.9
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.