CID 148371738

1422450-15-4

Structural Information

Molecular Formula
C18H30BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C[C@H]3CN(C[C@H]3C2)C(=O)OC(C)(C)C
InChI
InChI=1S/C18H30BNO4/c1-16(2,3)22-15(21)20-10-12-8-14(9-13(12)11-20)19-23-17(4,5)18(6,7)24-19/h8,12-13H,9-11H2,1-7H3/t12-,13+/m0/s1
InChIKey
LMLHFGLXLPDQTG-QWHCGFSZSA-N
Compound name
tert-butyl (3aR,6aS)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

335.22678 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.23406 176.9
[M+Na]+ 358.21600 184.3
[M-H]- 334.21950 184.8
[M+NH4]+ 353.26060 197.7
[M+K]+ 374.18994 184.8
[M+H-H2O]+ 318.22404 175.2
[M+HCOO]- 380.22498 191.3
[M+CH3COO]- 394.24063 209.4
[M+Na-2H]- 356.20145 176.7
[M]+ 335.22623 181.1
[M]- 335.22733 181.1
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