CID 17750251

269410-23-3

Structural Information

Molecular Formula
C13H19BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)OC)O
InChI
InChI=1S/C13H19BO4/c1-12(2)13(3,4)18-14(17-12)9-6-7-11(16-5)10(15)8-9/h6-8,15H,1-5H3
InChIKey
WINSAMQIAMEZIK-UHFFFAOYSA-N
Compound name
2-methoxy-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

105
Patents

250.13763 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.144906 150.0
[M+Na]+ 273.126848 159.9
[M-H]- 249.130354 157.9
[M+NH4]+ 268.171453 170.6
[M+K]+ 289.100788 160.4
[M+H-H2O]+ 233.134890 146.3
[M+HCOO]- 295.135831 170.0
[M+CH3COO]- 309.151481 191.9
[M+Na-2H]- 271.112296 155.8
[M]+ 250.13708142 154.8
[M]- 250.13817858 154.8
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