CID 57976762

N-methyl-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)aniline hydrochloride

Structural Information

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

131
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 157.9
[M-H]- 232.15142 157.9
[M+NH4]+ 251.19252 170.6
[M+K]+ 272.12186 158.0
[M+H-H2O]+ 216.15596 144.6
[M+HCOO]- 278.15690 171.2
[M+CH3COO]- 292.17255 193.8
[M+Na-2H]- 254.13337 155.8
[M]+ 233.15815 151.6
[M]- 233.15925 151.6
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