CID 46738005

882678-96-8

Structural Information

Molecular Formula
C13H20BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C(=CC=C2)N)C
InChI
InChI=1S/C13H20BNO2/c1-9-10(7-6-8-11(9)15)14-16-12(2,3)13(4,5)17-14/h6-8H,15H2,1-5H3
InChIKey
JMKMGPGFYMANCA-UHFFFAOYSA-N
Compound name
2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

390
Patents

233.1587 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.16598 150.0
[M+Na]+ 256.14792 162.1
[M+NH4]+ 251.19252 161.2
[M+K]+ 272.12186 155.1
[M-H]- 232.15142 156.7
[M+Na-2H]- 254.13337 158.0
[M]+ 233.15815 154.0
[M]- 233.15925 154.0
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