CID 66977707

1339927-19-3

Structural Information

Molecular Formula
C12H18BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)N)O
InChI
InChI=1S/C12H18BNO3/c1-11(2)12(3,4)17-13(16-11)8-5-6-9(14)10(15)7-8/h5-7,15H,14H2,1-4H3
InChIKey
OBFRRDXTOAXUDF-UHFFFAOYSA-N
Compound name
2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

235.13797 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.14525 148.9
[M+Na]+ 258.12719 158.4
[M-H]- 234.13069 156.3
[M+NH4]+ 253.17179 169.4
[M+K]+ 274.10113 158.0
[M+H-H2O]+ 218.13523 144.9
[M+HCOO]- 280.13617 169.2
[M+CH3COO]- 294.15182 191.2
[M+Na-2H]- 256.11264 154.1
[M]+ 235.13742 150.1
[M]- 235.13852 150.1
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