CID 162341523

Methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)bicyclo[2.2.1]heptane-1-carboxylate

Structural Information

Molecular Formula
C15H25BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C23CCC(C2)(CC3)C(=O)OC
InChI
InChI=1S/C15H25BO4/c1-12(2)13(3,4)20-16(19-12)15-8-6-14(10-15,7-9-15)11(17)18-5/h6-10H2,1-5H3
InChIKey
DJUXZSGURWITFX-UHFFFAOYSA-N
Compound name
methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)bicyclo[2.2.1]heptane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.1846 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.19188 159.3
[M+Na]+ 303.17382 167.5
[M-H]- 279.17732 166.7
[M+NH4]+ 298.21842 187.1
[M+K]+ 319.14776 167.6
[M+H-H2O]+ 263.18186 158.9
[M+HCOO]- 325.18280 175.7
[M+CH3COO]- 339.19845 197.9
[M+Na-2H]- 301.15927 163.4
[M]+ 280.18405 163.2
[M]- 280.18515 163.2
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.