CID 71267061

1423704-86-2

Structural Information

Molecular Formula
C18H25BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3(CCC3)C(=O)OC
InChI
InChI=1S/C18H25BO4/c1-16(2)17(3,4)23-19(22-16)14-9-7-13(8-10-14)18(11-6-12-18)15(20)21-5/h7-10H,6,11-12H2,1-5H3
InChIKey
OBDYKKYZOXQYLB-UHFFFAOYSA-N
Compound name
methyl 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

316.1846 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.19188 166.0
[M+Na]+ 339.17382 172.2
[M-H]- 315.17732 177.3
[M+NH4]+ 334.21842 179.4
[M+K]+ 355.14776 175.5
[M+H-H2O]+ 299.18186 157.9
[M+HCOO]- 361.18280 183.3
[M+CH3COO]- 375.19845 208.2
[M+Na-2H]- 337.15927 169.6
[M]+ 316.18405 178.5
[M]- 316.18515 178.5
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

patents stripe