CID 90202650

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

Structural Information

Molecular Formula
C15H24BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)NCCOC
InChI
InChI=1S/C15H24BNO3/c1-14(2)15(3,4)20-16(19-14)12-6-8-13(9-7-12)17-10-11-18-5/h6-9,17H,10-11H2,1-5H3
InChIKey
HKYDNIHLNFKPSO-UHFFFAOYSA-N
Compound name
N-(2-methoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

277.18494 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.19222 161.5
[M+Na]+ 300.17416 169.1
[M-H]- 276.17766 169.8
[M+NH4]+ 295.21876 180.9
[M+K]+ 316.14810 169.3
[M+H-H2O]+ 260.18220 156.3
[M+HCOO]- 322.18314 183.0
[M+CH3COO]- 336.19879 201.9
[M+Na-2H]- 298.15961 167.2
[M]+ 277.18439 166.0
[M]- 277.18549 166.0
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