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

15
Patents

304.1846 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.19188 168.9
[M+Na]+ 327.17382 180.1
[M+NH4]+ 322.21842 178.5
[M+K]+ 343.14776 173.2
[M-H]- 303.17732 173.8
[M+Na-2H]- 325.15927 175.5
[M]+ 304.18405 172.2
[M]- 304.18515 172.2
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