CID 56737724

1004761-68-5

Structural Information

Molecular Formula
C14H22BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C(=C2)C)N)C
InChI
InChI=1S/C14H22BNO2/c1-9-7-11(8-10(2)12(9)16)15-17-13(3,4)14(5,6)18-15/h7-8H,16H2,1-6H3
InChIKey
SBYDVNRAKVMVMG-UHFFFAOYSA-N
Compound name
2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

247.17436 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.18164 152.7
[M+Na]+ 270.16358 162.9
[M-H]- 246.16708 161.6
[M+NH4]+ 265.20818 174.0
[M+K]+ 286.13752 162.4
[M+H-H2O]+ 230.17162 148.7
[M+HCOO]- 292.17256 173.8
[M+CH3COO]- 306.18821 198.7
[M+Na-2H]- 268.14903 156.8
[M]+ 247.17381 155.4
[M]- 247.17491 155.4
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