CID 132371536

1809639-07-3

Structural Information

Molecular Formula
C15H28BNO6
SMILES
B1(OC(C(O1)(C)C)(C)C)CC(C(=O)OC)NC(=O)OC(C)(C)C
InChI
InChI=1S/C15H28BNO6/c1-13(2,3)21-12(19)17-10(11(18)20-8)9-16-22-14(4,5)15(6,7)23-16/h10H,9H2,1-8H3,(H,17,19)
InChIKey
DYJYKMFLOJWHRL-UHFFFAOYSA-N
Compound name
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.20096 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.20824 172.0
[M+Na]+ 352.19018 177.4
[M-H]- 328.19368 176.6
[M+NH4]+ 347.23478 189.3
[M+K]+ 368.16412 181.0
[M+H-H2O]+ 312.19822 169.7
[M+HCOO]- 374.19916 188.5
[M+CH3COO]- 388.21481 210.6
[M+Na-2H]- 350.17563 175.6
[M]+ 329.20041 179.1
[M]- 329.20151 179.1
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

No patent data available for this compound.