CID 162526804

Schembl29341518

Structural Information

Molecular Formula
C16H20BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=CC=C3N)C=C2
InChI
InChI=1S/C16H20BNO2/c1-15(2)16(3,4)20-17(19-15)12-9-8-11-6-5-7-14(18)13(11)10-12/h5-10H,18H2,1-4H3
InChIKey
VHBALARXNSEFPL-UHFFFAOYSA-N
Compound name
7-(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

5
Patents

269.15872 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.16600 160.2
[M+Na]+ 292.14794 170.2
[M-H]- 268.15144 169.6
[M+NH4]+ 287.19254 181.1
[M+K]+ 308.12188 168.5
[M+H-H2O]+ 252.15598 154.7
[M+HCOO]- 314.15692 180.4
[M+CH3COO]- 328.17257 173.7
[M+Na-2H]- 290.13339 165.9
[M]+ 269.15817 161.9
[M]- 269.15927 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

patents stripe