CID 145915468

2396589-61-8

Structural Information

Molecular Formula
C13H23BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2CC23CCCC3
InChI
InChI=1S/C13H23BO2/c1-11(2)12(3,4)16-14(15-11)10-9-13(10)7-5-6-8-13/h10H,5-9H2,1-4H3
InChIKey
TWDSPMRDYVTZFS-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-spiro[2.4]heptan-2-yl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.17911 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.18639 144.7
[M+Na]+ 245.16833 154.1
[M-H]- 221.17183 155.6
[M+NH4]+ 240.21293 165.3
[M+K]+ 261.14227 155.7
[M+H-H2O]+ 205.17637 142.6
[M+HCOO]- 267.17731 161.9
[M+CH3COO]- 281.19296 158.6
[M+Na-2H]- 243.15378 149.7
[M]+ 222.17856 148.0
[M]- 222.17966 148.0
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.