CID 165948935

En300-39667359

Structural Information

Molecular Formula
C16H27BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2CC(=O)C23CCCCCC3
InChI
InChI=1S/C16H27BO3/c1-14(2)15(3,4)20-17(19-14)12-11-13(18)16(12)9-7-5-6-8-10-16/h12H,5-11H2,1-4H3
InChIKey
BESBCPKBVOQTRV-UHFFFAOYSA-N
Compound name
1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[3.6]decan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.20532 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.21260 156.6
[M+Na]+ 301.19454 160.1
[M-H]- 277.19804 166.7
[M+NH4]+ 296.23914 170.5
[M+K]+ 317.16848 162.9
[M+H-H2O]+ 261.20258 150.0
[M+HCOO]- 323.20352 170.2
[M+CH3COO]- 337.21917 202.4
[M+Na-2H]- 299.17999 159.3
[M]+ 278.20477 160.2
[M]- 278.20587 160.2
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.