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

23
Patents

353.20096 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.20824 174.3
[M+Na]+ 376.19018 181.8
[M-H]- 352.19368 181.6
[M+NH4]+ 371.23478 191.7
[M+K]+ 392.16412 184.3
[M+H-H2O]+ 336.19822 172.1
[M+HCOO]- 398.19916 189.7
[M+CH3COO]- 412.21481 212.0
[M+Na-2H]- 374.17563 175.5
[M]+ 353.20041 181.7
[M]- 353.20151 181.7
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

patents stripe