CID 15260005

2-(cyclopentylmethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C12H23BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)CC2CCCC2
InChI
InChI=1S/C12H23BO2/c1-11(2)12(3,4)15-13(14-11)9-10-7-5-6-8-10/h10H,5-9H2,1-4H3
InChIKey
TZYFVFXOXYSETL-UHFFFAOYSA-N
Compound name
2-(cyclopentylmethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

210.17911 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.186386 145.5
[M+Na]+ 233.168328 152.2
[M-H]- 209.171834 153.1
[M+NH4]+ 228.212933 169.3
[M+K]+ 249.142268 152.9
[M+H-H2O]+ 193.176370 142.5
[M+HCOO]- 255.177311 164.6
[M+CH3COO]- 269.192961 185.9
[M+Na-2H]- 231.153776 148.8
[M]+ 210.17856142 145.5
[M]- 210.17965858 145.5
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

patents stripe