CID 145915391

Rac-methyl (1r,5r)-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)bicyclo[3.1.0]hexane-1-carboxylate

Structural Information

Molecular Formula
C14H23BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)[C@]23CCC[C@]2(C3)C(=O)OC
InChI
InChI=1S/C14H23BO4/c1-11(2)12(3,4)19-15(18-11)14-8-6-7-13(14,9-14)10(16)17-5/h6-9H2,1-5H3/t13-,14-/m0/s1
InChIKey
FXLTZIZLLAYRFV-KBPBESRZSA-N
Compound name
methyl (1R,5R)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)bicyclo[3.1.0]hexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.16895 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.17623 153.5
[M+Na]+ 289.15817 163.6
[M-H]- 265.16167 163.2
[M+NH4]+ 284.20277 174.7
[M+K]+ 305.13211 165.9
[M+H-H2O]+ 249.16621 153.2
[M+HCOO]- 311.16715 169.1
[M+CH3COO]- 325.18280 198.0
[M+Na-2H]- 287.14362 159.6
[M]+ 266.16840 161.3
[M]- 266.16950 161.3
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.