CID 135394283

Methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)bicyclo[1.1.1]pentane-1-carboxylate

Structural Information

Molecular Formula
C13H21BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C23CC(C2)(C3)C(=O)OC
InChI
InChI=1S/C13H21BO4/c1-10(2)11(3,4)18-14(17-10)13-6-12(7-13,8-13)9(15)16-5/h6-8H2,1-5H3
InChIKey
XJAGROMBOSCPII-UHFFFAOYSA-N
Compound name
methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)bicyclo[1.1.1]pentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

252.15329 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.16057 162.4
[M+Na]+ 275.14251 165.8
[M-H]- 251.14601 169.3
[M+NH4]+ 270.18711 168.8
[M+K]+ 291.11645 172.4
[M+H-H2O]+ 235.15055 153.7
[M+HCOO]- 297.15149 172.1
[M+CH3COO]- 311.16714 218.8
[M+Na-2H]- 273.12796 167.8
[M]+ 252.15274 190.1
[M]- 252.15384 190.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe