CID 14927834

159087-43-1

Structural Information

Molecular Formula
C13H21BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C#CC2CCCC2
InChI
InChI=1S/C13H21BO2/c1-12(2)13(3,4)16-14(15-12)10-9-11-7-5-6-8-11/h11H,5-8H2,1-4H3
InChIKey
TUUSACNRPVJDFA-UHFFFAOYSA-N
Compound name
2-(2-cyclopentylethynyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.16347 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.170746 143.8
[M+Na]+ 243.152688 154.6
[M-H]- 219.156194 149.6
[M+NH4]+ 238.197293 165.1
[M+K]+ 259.126628 150.3
[M+H-H2O]+ 203.160730 134.3
[M+HCOO]- 265.161671 157.9
[M+CH3COO]- 279.177321 193.6
[M+Na-2H]- 241.138136 146.7
[M]+ 220.16292142 138.6
[M]- 220.16401858 138.6
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.