CID 11230949

642066-70-4

Structural Information

Molecular Formula
C14H25BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/COC2CCCCO2
InChI
InChI=1S/C14H25BO4/c1-13(2)14(3,4)19-15(18-13)9-7-11-17-12-8-5-6-10-16-12/h7,9,12H,5-6,8,10-11H2,1-4H3/b9-7+
InChIKey
MHSOBXCZCRNELG-VQHVLOKHSA-N
Compound name
4,4,5,5-tetramethyl-2-[(E)-3-(oxan-2-yloxy)prop-1-enyl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

268.1846 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.19188 160.0
[M+Na]+ 291.17382 165.3
[M-H]- 267.17732 167.7
[M+NH4]+ 286.21842 178.3
[M+K]+ 307.14776 167.3
[M+H-H2O]+ 251.18186 155.8
[M+HCOO]- 313.18280 175.9
[M+CH3COO]- 327.19845 195.0
[M+Na-2H]- 289.15927 164.6
[M]+ 268.18405 161.5
[M]- 268.18515 161.5
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