CID 155978461

Tert-butyl 3-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C21H32BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2CN(CC2C3=CC=CC=C3)C(=O)OC(C)(C)C
InChI
InChI=1S/C21H32BNO4/c1-19(2,3)25-18(24)23-13-16(15-11-9-8-10-12-15)17(14-23)22-26-20(4,5)21(6,7)27-22/h8-12,16-17H,13-14H2,1-7H3
InChIKey
LUHYBBAVLIOPFP-UHFFFAOYSA-N
Compound name
tert-butyl 3-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.24243 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.24971 185.5
[M+Na]+ 396.23165 192.0
[M-H]- 372.23515 195.5
[M+NH4]+ 391.27625 201.8
[M+K]+ 412.20559 192.2
[M+H-H2O]+ 356.23969 180.9
[M+HCOO]- 418.24063 200.0
[M+CH3COO]- 432.25628 216.1
[M+Na-2H]- 394.21710 185.3
[M]+ 373.24188 188.7
[M]- 373.24298 188.7
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.