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

49
Patents

304.1846 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.191876 165.6
[M+Na]+ 327.173818 173.7
[M-H]- 303.177324 174.2
[M+NH4]+ 322.218423 184.4
[M+K]+ 343.147758 174.8
[M+H-H2O]+ 287.181860 161.9
[M+HCOO]- 349.182801 183.4
[M+CH3COO]- 363.198451 205.0
[M+Na-2H]- 325.159266 170.5
[M]+ 304.18405142 171.3
[M]- 304.18514858 171.3
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