CID 138039843

2-[(tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-7-azaspiro[3.5]nonane hydrochloride

Structural Information

Molecular Formula
C15H28BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)CC2CC3(C2)CCNCC3
InChI
InChI=1S/C15H28BNO2/c1-13(2)14(3,4)19-16(18-13)11-12-9-15(10-12)5-7-17-8-6-15/h12,17H,5-11H2,1-4H3
InChIKey
INEQCSNLZIEDGQ-UHFFFAOYSA-N
Compound name
2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-7-azaspiro[3.5]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.2213 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.22858 157.5
[M+Na]+ 288.21052 161.6
[M-H]- 264.21402 164.0
[M+NH4]+ 283.25512 171.1
[M+K]+ 304.18446 163.6
[M+H-H2O]+ 248.21856 148.7
[M+HCOO]- 310.21950 169.1
[M+CH3COO]- 324.23515 196.5
[M+Na-2H]- 286.19597 160.8
[M]+ 265.22075 162.2
[M]- 265.22185 162.2
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.