CID 16086089

882670-69-1

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/c1-9-6-7-10(15)8-11(9)14-16-12(2,3)13(4,5)17-14/h6-8H,15H2,1-5H3
InChIKey
HPNBWHDRLCVZFV-UHFFFAOYSA-N
Compound name
4-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

383
Patents

233.1587 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.16598 149.2
[M+Na]+ 256.14792 158.8
[M-H]- 232.15142 157.8
[M+NH4]+ 251.19252 170.7
[M+K]+ 272.12186 158.6
[M+H-H2O]+ 216.15596 145.0
[M+HCOO]- 278.15690 170.6
[M+CH3COO]- 292.17255 194.4
[M+Na-2H]- 254.13337 154.2
[M]+ 233.15815 151.1
[M]- 233.15925 151.1
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