CID 90102627

1538623-41-4

Structural Information

Molecular Formula
C13H20BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)OC)N
InChI
InChI=1S/C13H20BNO3/c1-12(2)13(3,4)18-14(17-12)9-6-10(15)8-11(7-9)16-5/h6-8H,15H2,1-5H3
InChIKey
GGIFQELWQHTNGX-UHFFFAOYSA-N
Compound name
3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

249.15363 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.16091 153.1
[M+Na]+ 272.14285 164.7
[M+NH4]+ 267.18745 163.7
[M+K]+ 288.11679 158.2
[M-H]- 248.14635 159.2
[M+Na-2H]- 270.12830 160.7
[M]+ 249.15308 156.8
[M]- 249.15418 156.8
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