CID 79662502

Akos018219251

Structural Information

Molecular Formula
C17H25BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2OC3CCCC3
InChI
InChI=1S/C17H25BO3/c1-16(2)17(3,4)21-18(20-16)14-11-7-8-12-15(14)19-13-9-5-6-10-13/h7-8,11-13H,5-6,9-10H2,1-4H3
InChIKey
RDHOEDZFSXBNEJ-UHFFFAOYSA-N
Compound name
2-(2-cyclopentyloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.18967 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.19695 164.2
[M+Na]+ 311.17889 171.2
[M-H]- 287.18239 175.4
[M+NH4]+ 306.22349 184.8
[M+K]+ 327.15283 170.9
[M+H-H2O]+ 271.18693 159.6
[M+HCOO]- 333.18787 183.5
[M+CH3COO]- 347.20352 199.6
[M+Na-2H]- 309.16434 166.0
[M]+ 288.18912 165.5
[M]- 288.19022 165.5
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

No patent data available for this compound.