CID 58452920

2159091-30-0

Structural Information

Molecular Formula
C14H20BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/C2=CC=C(C=C2)N
InChI
InChI=1S/C14H20BNO2/c1-13(2)14(3,4)18-15(17-13)10-9-11-5-7-12(16)8-6-11/h5-10H,16H2,1-4H3/b10-9+
InChIKey
GNAVWBTYNUHSDS-MDZDMXLPSA-N
Compound name
4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

245.1587 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.16598 153.8
[M+Na]+ 268.14792 162.5
[M-H]- 244.15142 162.0
[M+NH4]+ 263.19252 174.5
[M+K]+ 284.12186 161.4
[M+H-H2O]+ 228.15596 149.2
[M+HCOO]- 290.15690 175.1
[M+CH3COO]- 304.17255 194.8
[M+Na-2H]- 266.13337 158.9
[M]+ 245.15815 154.8
[M]- 245.15925 154.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe