CID 57871083

890839-10-8

Structural Information

Molecular Formula
C17H25BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(C)(C)C(=O)OC
InChI
InChI=1S/C17H25BO4/c1-15(2,14(19)20-7)12-8-10-13(11-9-12)18-21-16(3,4)17(5,6)22-18/h8-11H,1-7H3
InChIKey
RAGWTXRTMGSMRC-UHFFFAOYSA-N
Compound name
methyl 2-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

304.1846 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.19188 166.8
[M+Na]+ 327.17382 177.6
[M+NH4]+ 322.21842 176.2
[M+K]+ 343.14776 172.1
[M-H]- 303.17732 171.1
[M+Na-2H]- 325.15927 173.6
[M]+ 304.18405 170.0
[M]- 304.18515 170.0
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