CID 71545774

4-methoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

249.15363 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.16091 152.3
[M+Na]+ 272.14285 161.8
[M-H]- 248.14635 160.9
[M+NH4]+ 267.18745 173.0
[M+K]+ 288.11679 162.1
[M+H-H2O]+ 232.15089 148.0
[M+HCOO]- 294.15183 173.9
[M+CH3COO]- 308.16748 196.6
[M+Na-2H]- 270.12830 157.5
[M]+ 249.15308 155.7
[M]- 249.15418 155.7
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