CID 142436748

2152645-06-0

Structural Information

Molecular Formula
C16H21BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C23C4C5C2C6C3C4C56C(=O)OC
InChI
InChI=1S/C16H21BO4/c1-13(2)14(3,4)21-17(20-13)16-9-6-10(16)8-11(16)7(9)15(6,8)12(18)19-5/h6-11H,1-5H3
InChIKey
RPSGDALXKCXMGX-UHFFFAOYSA-N
Compound name
methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cubane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

288.1533 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.16058 216.1
[M+Na]+ 311.14252 215.8
[M-H]- 287.14602 221.5
[M+NH4]+ 306.18712 212.0
[M+K]+ 327.11646 219.7
[M+H-H2O]+ 271.15056 207.3
[M+HCOO]- 333.15150 216.3
[M+CH3COO]- 347.16715 265.7
[M+Na-2H]- 309.12797 209.8
[M]+ 288.15275 236.6
[M]- 288.15385 236.6
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