CID 21069292

1562375-30-7

Structural Information

Molecular Formula
C17H29BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CCC(CC2)C(=O)OC(C)(C)C
InChI
InChI=1S/C17H29BO4/c1-15(2,3)20-14(19)12-8-10-13(11-9-12)18-21-16(4,5)17(6,7)22-18/h10,12H,8-9,11H2,1-7H3
InChIKey
MALODUHOUIPLQR-UHFFFAOYSA-N
Compound name
tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-ene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

308.21588 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.22316 168.5
[M+Na]+ 331.20510 174.7
[M-H]- 307.20860 176.2
[M+NH4]+ 326.24970 187.1
[M+K]+ 347.17904 176.1
[M+H-H2O]+ 291.21314 165.1
[M+HCOO]- 353.21408 183.4
[M+CH3COO]- 367.22973 205.1
[M+Na-2H]- 329.19055 171.6
[M]+ 308.21533 171.3
[M]- 308.21643 171.3
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

patents stripe