CID 146155464

En300-22920269

Structural Information

Molecular Formula
C18H30BNO6
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/2\CC(N(C2)C(=O)OC(C)(C)C)C(=O)OC
InChI
InChI=1S/C18H30BNO6/c1-16(2,3)24-15(22)20-11-12(9-13(20)14(21)23-8)10-19-25-17(4,5)18(6,7)26-19/h10,13H,9,11H2,1-8H3/b12-10+
InChIKey
GDMXNLWKFLYMSO-ZRDIBKRKSA-N
Compound name
1-O-tert-butyl 2-O-methyl (4E)-4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]pyrrolidine-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.2166 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.22388 179.2
[M+Na]+ 390.20582 185.6
[M-H]- 366.20932 185.9
[M+NH4]+ 385.25042 195.9
[M+K]+ 406.17976 187.4
[M+H-H2O]+ 350.21386 177.1
[M+HCOO]- 412.21480 193.0
[M+CH3COO]- 426.23045 213.9
[M+Na-2H]- 388.19127 179.1
[M]+ 367.21605 184.7
[M]- 367.21715 184.7
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.