CID 153536392

2179309-33-0

Structural Information

Molecular Formula
C17H32BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)CCC2CCCN2C(=O)OC(C)(C)C
InChI
InChI=1S/C17H32BNO4/c1-15(2,3)21-14(20)19-12-8-9-13(19)10-11-18-22-16(4,5)17(6,7)23-18/h13H,8-12H2,1-7H3
InChIKey
YCJWOMHDTIAMPP-UHFFFAOYSA-N
Compound name
tert-butyl 2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

325.24243 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.249706 174.0
[M+Na]+ 348.231648 179.8
[M-H]- 324.235154 180.3
[M+NH4]+ 343.276253 192.3
[M+K]+ 364.205588 181.2
[M+H-H2O]+ 308.239690 170.9
[M+HCOO]- 370.240631 188.3
[M+CH3COO]- 384.256281 207.2
[M+Na-2H]- 346.217096 174.9
[M]+ 325.24188142 177.9
[M]- 325.24297858 177.9
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

patents stripe