CID 135394283

2410440-12-7

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

0
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

No patent data available for this compound.