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

63
Patents

304.1846 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.19188 165.6
[M+Na]+ 327.17382 173.7
[M-H]- 303.17732 174.2
[M+NH4]+ 322.21842 184.4
[M+K]+ 343.14776 174.8
[M+H-H2O]+ 287.18186 161.9
[M+HCOO]- 349.18280 183.4
[M+CH3COO]- 363.19845 205.0
[M+Na-2H]- 325.15927 170.5
[M]+ 304.18405 171.3
[M]- 304.18515 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