CID 135039233

1068163-32-5

Structural Information

Molecular Formula
C14H23BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C#CCOC2CCCCO2
InChI
InChI=1S/C14H23BO4/c1-13(2)14(3,4)19-15(18-13)9-7-11-17-12-8-5-6-10-16-12/h12H,5-6,8,10-11H2,1-4H3
InChIKey
AKGDTLXVMYMZQJ-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-[3-(oxan-2-yloxy)prop-1-ynyl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.16895 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.17623 150.5
[M+Na]+ 289.15817 159.9
[M-H]- 265.16167 156.2
[M+NH4]+ 284.20277 167.1
[M+K]+ 305.13211 157.9
[M+H-H2O]+ 249.16621 140.1
[M+HCOO]- 311.16715 161.8
[M+CH3COO]- 325.18280 200.3
[M+Na-2H]- 287.14362 155.2
[M]+ 266.16840 146.9
[M]- 266.16950 146.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.