CID 132353869

2140184-59-2

Structural Information

Molecular Formula
C13H23BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2[C@H]3[C@@H]2CCCC3
InChI
InChI=1S/C13H23BO2/c1-12(2)13(3,4)16-14(15-12)11-9-7-5-6-8-10(9)11/h9-11H,5-8H2,1-4H3/t9-,10+,11?
InChIKey
GGLMQBKCHIMSCP-ZACCUICWSA-N
Compound name
2-[(1S,6R)-7-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 148.2
[M+Na]+ 245.16833 157.4
[M-H]- 221.17183 157.6
[M+NH4]+ 240.21293 166.3
[M+K]+ 261.14227 158.3
[M+H-H2O]+ 205.17637 144.3
[M+HCOO]- 267.17731 163.6
[M+CH3COO]- 281.19296 193.0
[M+Na-2H]- 243.15378 153.3
[M]+ 222.17856 151.1
[M]- 222.17966 151.1
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

No patent data available for this compound.