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

literature stripe

Patent stripe

patents stripe