CID 90093321

177949-94-9

Structural Information

Molecular Formula
C13H23BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C(=C)C2CCCC2
InChI
InChI=1S/C13H23BO2/c1-10(11-8-6-7-9-11)14-15-12(2,3)13(4,5)16-14/h11H,1,6-9H2,2-5H3
InChIKey
PHDUGUZNXCBEBI-UHFFFAOYSA-N
Compound name
2-(1-cyclopentylethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

222.17911 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.18639 149.5
[M+Na]+ 245.16833 155.8
[M-H]- 221.17183 157.1
[M+NH4]+ 240.21293 172.7
[M+K]+ 261.14227 156.1
[M+H-H2O]+ 205.17637 146.6
[M+HCOO]- 267.17731 167.4
[M+CH3COO]- 281.19296 189.0
[M+Na-2H]- 243.15378 151.1
[M]+ 222.17856 148.6
[M]- 222.17966 148.6
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.