CID 145944660

Methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclobutane-1-carboxylate

Structural Information

Molecular Formula
C12H21BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2CC(C2)C(=O)OC
InChI
InChI=1S/C12H21BO4/c1-11(2)12(3,4)17-13(16-11)9-6-8(7-9)10(14)15-5/h8-9H,6-7H2,1-5H3
InChIKey
YTEXUNBCJYUQCC-UHFFFAOYSA-N
Compound name
methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.15329 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.16057 146.0
[M+Na]+ 263.14251 151.9
[M-H]- 239.14601 154.2
[M+NH4]+ 258.18711 160.7
[M+K]+ 279.11645 156.7
[M+H-H2O]+ 223.15055 139.1
[M+HCOO]- 285.15149 163.6
[M+CH3COO]- 299.16714 195.2
[M+Na-2H]- 261.12796 149.7
[M]+ 240.15274 158.3
[M]- 240.15384 158.3
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.