CID 125479434

2-(4-(1-methoxycyclobutyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C17H25BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3(CCC3)OC
InChI
InChI=1S/C17H25BO3/c1-15(2)16(3,4)21-18(20-15)14-9-7-13(8-10-14)17(19-5)11-6-12-17/h7-10H,6,11-12H2,1-5H3
InChIKey
VKSRSSMNXJQONU-UHFFFAOYSA-N
Compound name
2-[4-(1-methoxycyclobutyl)phenyl]-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 157.9
[M+Na]+ 311.17889 164.8
[M-H]- 287.18239 169.3
[M+NH4]+ 306.22349 172.6
[M+K]+ 327.15283 167.6
[M+H-H2O]+ 271.18693 149.8
[M+HCOO]- 333.18787 176.2
[M+CH3COO]- 347.20352 203.8
[M+Na-2H]- 309.16434 163.0
[M]+ 288.18912 169.9
[M]- 288.19022 169.9
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.