CID 11183994

350498-94-1

Structural Information

Molecular Formula
C13H23BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2CCCCC(=O)C2
InChI
InChI=1S/C13H23BO3/c1-12(2)13(3,4)17-14(16-12)10-7-5-6-8-11(15)9-10/h10H,5-9H2,1-4H3
InChIKey
OBKJEEXUXXCBDA-UHFFFAOYSA-N
Compound name
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cycloheptan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.17403 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.18131 147.4
[M+Na]+ 261.16325 151.9
[M-H]- 237.16675 155.7
[M+NH4]+ 256.20785 166.7
[M+K]+ 277.13719 154.9
[M+H-H2O]+ 221.17129 143.2
[M+HCOO]- 283.17223 163.5
[M+CH3COO]- 297.18788 192.6
[M+Na-2H]- 259.14870 150.6
[M]+ 238.17348 143.4
[M]- 238.17458 143.4
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.