CID 166000478

En300-39871143

Structural Information

Molecular Formula
C13H23BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)[C@@H]2[C@H]([C@H]2C(=O)OCC)C
InChI
InChI=1S/C13H23BO4/c1-7-16-11(15)9-8(2)10(9)14-17-12(3,4)13(5,6)18-14/h8-10H,7H2,1-6H3/t8-,9+,10+/m0/s1
InChIKey
UDLBUKVDDQXQJX-IVZWLZJFSA-N
Compound name
ethyl (1S,2R,3R)-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.16895 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.17623 151.7
[M+Na]+ 277.15817 162.0
[M-H]- 253.16167 161.2
[M+NH4]+ 272.20277 168.0
[M+K]+ 293.13211 163.6
[M+H-H2O]+ 237.16621 149.1
[M+HCOO]- 299.16715 169.7
[M+CH3COO]- 313.18280 199.4
[M+Na-2H]- 275.14362 155.4
[M]+ 254.16840 160.8
[M]- 254.16950 160.8
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.