CID 90391747

1383793-75-6

Structural Information

Molecular Formula
C21H32BNO5
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)O[C@H]3CCN(C3)C(=O)OC(C)(C)C
InChI
InChI=1S/C21H32BNO5/c1-19(2,3)26-18(24)23-13-12-17(14-23)25-16-10-8-15(9-11-16)22-27-20(4,5)21(6,7)28-22/h8-11,17H,12-14H2,1-7H3/t17-/m0/s1
InChIKey
SGHPXNIINLLSMV-KRWDZBQOSA-N
Compound name
tert-butyl (3S)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

107
Patents

389.23737 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.24465 188.2
[M+Na]+ 412.22659 194.4
[M-H]- 388.23009 198.2
[M+NH4]+ 407.27119 203.7
[M+K]+ 428.20053 195.4
[M+H-H2O]+ 372.23463 183.6
[M+HCOO]- 434.23557 202.9
[M+CH3COO]- 448.25122 218.3
[M+Na-2H]- 410.21204 188.3
[M]+ 389.23682 192.9
[M]- 389.23792 192.9
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

patents stripe