CID 125500027

1628500-51-5

Structural Information

Molecular Formula
C17H28BNO6
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C[C@H](N(C2)C(=O)OC(C)(C)C)C(=O)OC
InChI
InChI=1S/C17H28BNO6/c1-15(2,3)23-14(21)19-10-11(9-12(19)13(20)22-8)18-24-16(4,5)17(6,7)25-18/h9,12H,10H2,1-8H3/t12-/m0/s1
InChIKey
ISJQEQWADIXBBC-LBPRGKRZSA-N
Compound name
1-O-tert-butyl 2-O-methyl (2S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydropyrrole-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

353.20096 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.20824 176.3
[M+Na]+ 376.19018 182.9
[M+NH4]+ 371.23478 182.8
[M+K]+ 392.16412 182.5
[M-H]- 352.19368 177.1
[M+Na-2H]- 374.17563 178.7
[M]+ 353.20041 177.4
[M]- 353.20151 177.4
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