CID 58685599

651030-57-8

Structural Information

Molecular Formula
C15H23BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CCCO
InChI
InChI=1S/C15H23BO3/c1-14(2)15(3,4)19-16(18-14)13-9-7-12(8-10-13)6-5-11-17/h7-10,17H,5-6,11H2,1-4H3
InChIKey
MAOHXUOIEOBIJP-UHFFFAOYSA-N
Compound name
3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

262.174 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.18128 157.5
[M+Na]+ 285.16322 165.7
[M-H]- 261.16672 164.6
[M+NH4]+ 280.20782 177.3
[M+K]+ 301.13716 165.1
[M+H-H2O]+ 245.17126 153.1
[M+HCOO]- 307.17220 176.6
[M+CH3COO]- 321.18785 194.4
[M+Na-2H]- 283.14867 162.4
[M]+ 262.17345 161.0
[M]- 262.17455 161.0
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