CID 2734650

269410-22-2

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

631
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

literature stripe

Patent stripe

patents stripe