CID 67212583

4-bromo-2-{[(tert-butyldimethylsilyl)oxy]methyl}aniline

Structural Information

Molecular Formula
C13H22BrNOSi
SMILES
CC(C)(C)[Si](C)(C)OCC1=C(C=CC(=C1)Br)N
InChI
InChI=1S/C13H22BrNOSi/c1-13(2,3)17(4,5)16-9-10-8-11(14)6-7-12(10)15/h6-8H,9,15H2,1-5H3
InChIKey
VDKUOHFTQUVLFI-UHFFFAOYSA-N
Compound name
4-bromo-2-[[tert-butyl(dimethyl)silyl]oxymethyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

315.0654 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.07268 168.4
[M+Na]+ 338.05462 178.4
[M-H]- 314.05812 174.0
[M+NH4]+ 333.09922 187.3
[M+K]+ 354.02856 166.8
[M+H-H2O]+ 298.06266 167.8
[M+HCOO]- 360.06360 186.0
[M+CH3COO]- 374.07925 204.3
[M+Na-2H]- 336.04007 173.6
[M]+ 315.06485 187.6
[M]- 315.06595 187.6
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