CID 137951489

2-{bicyclo[4.1.0]heptan-1-yl}-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C13H23BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C23CCCCC2C3
InChI
InChI=1S/C13H23BO2/c1-11(2)12(3,4)16-14(15-11)13-8-6-5-7-10(13)9-13/h10H,5-9H2,1-4H3
InChIKey
YNDOSKDENVKKLH-UHFFFAOYSA-N
Compound name
2-(1-bicyclo[4.1.0]heptanyl)-4,4,5,5-tetramethyl-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 147.7
[M+Na]+ 245.16833 156.7
[M-H]- 221.17183 157.0
[M+NH4]+ 240.21293 167.2
[M+K]+ 261.14227 158.7
[M+H-H2O]+ 205.17637 144.3
[M+HCOO]- 267.17731 162.6
[M+CH3COO]- 281.19296 160.8
[M+Na-2H]- 243.15378 154.4
[M]+ 222.17856 150.7
[M]- 222.17966 150.7
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.