CID 59233670

1215107-29-1

Structural Information

Molecular Formula
C12H21BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2CC2C(=O)OCC
InChI
InChI=1S/C12H21BO4/c1-6-15-10(14)8-7-9(8)13-16-11(2,3)12(4,5)17-13/h8-9H,6-7H2,1-5H3
InChIKey
AAORUCVESAXSRS-UHFFFAOYSA-N
Compound name
ethyl 2-(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

111
Patents

240.15329 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.16057 149.0
[M+Na]+ 263.14251 158.8
[M-H]- 239.14601 158.3
[M+NH4]+ 258.18711 165.5
[M+K]+ 279.11645 160.8
[M+H-H2O]+ 223.15055 146.1
[M+HCOO]- 285.15149 167.3
[M+CH3COO]- 299.16714 195.3
[M+Na-2H]- 261.12796 153.6
[M]+ 240.15274 157.3
[M]- 240.15384 157.3
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

patents stripe