CID 138040914

2365173-72-2

Structural Information

Molecular Formula
C13H25BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C(\C)/CC(OC)OC
InChI
InChI=1S/C13H25BO4/c1-10(8-11(15-6)16-7)9-14-17-12(2,3)13(4,5)18-14/h9,11H,8H2,1-7H3/b10-9+
InChIKey
AGJDLNXUAZAHCR-MDZDMXLPSA-N
Compound name
2-[(E)-4,4-dimethoxy-2-methylbut-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.1846 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.19188 156.1
[M+Na]+ 279.17382 162.9
[M-H]- 255.17732 160.8
[M+NH4]+ 274.21842 176.7
[M+K]+ 295.14776 165.1
[M+H-H2O]+ 239.18186 153.3
[M+HCOO]- 301.18280 174.1
[M+CH3COO]- 315.19845 196.7
[M+Na-2H]- 277.15927 159.3
[M]+ 256.18405 162.2
[M]- 256.18515 162.2
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.