CID 137966094

2194544-56-2

Structural Information

Molecular Formula
C15H27BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)CC2CC3(C2)CCOCC3
InChI
InChI=1S/C15H27BO3/c1-13(2)14(3,4)19-16(18-13)11-12-9-15(10-12)5-7-17-8-6-15/h12H,5-11H2,1-4H3
InChIKey
AIHUHMISUKXCMF-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-(7-oxaspiro[3.5]nonan-2-ylmethyl)-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.20532 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.21260 151.6
[M+Na]+ 289.19454 156.1
[M-H]- 265.19804 161.5
[M+NH4]+ 284.23914 165.9
[M+K]+ 305.16848 160.5
[M+H-H2O]+ 249.20258 144.4
[M+HCOO]- 311.20352 165.3
[M+CH3COO]- 325.21917 198.7
[M+Na-2H]- 287.17999 157.1
[M]+ 266.20477 159.6
[M]- 266.20587 159.6
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.