CID 165944206

3,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolidine hydrochloride

Structural Information

Molecular Formula
C12H24BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2CNCC2(C)C
InChI
InChI=1S/C12H24BNO2/c1-10(2)8-14-7-9(10)13-15-11(3,4)12(5,6)16-13/h9,14H,7-8H2,1-6H3
InChIKey
FXOCIHVLPXWXHE-UHFFFAOYSA-N
Compound name
3,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.19 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.19728 145.0
[M+Na]+ 248.17922 153.1
[M-H]- 224.18272 150.6
[M+NH4]+ 243.22382 168.5
[M+K]+ 264.15316 153.3
[M+H-H2O]+ 208.18726 142.3
[M+HCOO]- 270.18820 161.4
[M+CH3COO]- 284.20385 187.1
[M+Na-2H]- 246.16467 148.7
[M]+ 225.18945 144.7
[M]- 225.19055 144.7
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.