CID 139248846

490035-83-1

Structural Information

Molecular Formula
C17H25BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CCCC(=O)OC
InChI
InChI=1S/C17H25BO4/c1-16(2)17(3,4)22-18(21-16)14-11-9-13(10-12-14)7-6-8-15(19)20-5/h9-12H,6-8H2,1-5H3
InChIKey
BSUJPQYUSOSLLE-UHFFFAOYSA-N
Compound name
methyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

304.1846 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.191876 167.9
[M+Na]+ 327.173818 175.6
[M-H]- 303.177324 176.1
[M+NH4]+ 322.218423 186.6
[M+K]+ 343.147758 176.0
[M+H-H2O]+ 287.181860 163.2
[M+HCOO]- 349.182801 187.2
[M+CH3COO]- 363.198451 204.5
[M+Na-2H]- 325.159266 171.3
[M]+ 304.18405142 174.0
[M]- 304.18514858 174.0
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