CID 17998909

N,n-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline hydrochloride

Structural Information

Molecular Formula
C14H22BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)N(C)C
InChI
InChI=1S/C14H22BNO2/c1-13(2)14(3,4)18-15(17-13)11-8-7-9-12(10-11)16(5)6/h7-10H,1-6H3
InChIKey
BIJRPONWUBCGES-UHFFFAOYSA-N
Compound name
N,N-dimethyl-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

63
Patents

247.17436 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.18164 153.1
[M+Na]+ 270.16358 161.5
[M-H]- 246.16708 163.2
[M+NH4]+ 265.20818 174.6
[M+K]+ 286.13752 162.9
[M+H-H2O]+ 230.17162 148.4
[M+HCOO]- 292.17256 175.4
[M+CH3COO]- 306.18821 200.2
[M+Na-2H]- 268.14903 158.6
[M]+ 247.17381 157.1
[M]- 247.17491 157.1
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