CID 145915532

1812184-92-1

Structural Information

Molecular Formula
C19H36B2O6
SMILES
B1(OC(C(O1)(C)C)(C)C)C(B2OC(C(O2)(C)C)(C)C)CC(=O)OC(C)(C)C
InChI
InChI=1S/C19H36B2O6/c1-15(2,3)23-14(22)12-13(20-24-16(4,5)17(6,7)25-20)21-26-18(8,9)19(10,11)27-21/h13H,12H2,1-11H3
InChIKey
DYEDUZKPSWMEPZ-UHFFFAOYSA-N
Compound name
tert-butyl 3,3-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.2698 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.27708 172.3
[M+Na]+ 405.25902 179.4
[M-H]- 381.26252 181.4
[M+NH4]+ 400.30362 191.0
[M+K]+ 421.23296 184.3
[M+H-H2O]+ 365.26706 174.3
[M+HCOO]- 427.26800 184.4
[M+CH3COO]- 441.28365 220.5
[M+Na-2H]- 403.24447 177.5
[M]+ 382.26925 182.0
[M]- 382.27035 182.0
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

No patent data available for this compound.