CID 118832935

1329422-59-4

Structural Information

Molecular Formula
C13H20BNO5
SMILES
[B-]12([N+](CC(=O)O1)(CC(=O)O2)C)C(C=O)C3CCCCC3
InChI
InChI=1S/C13H20BNO5/c1-15-7-12(17)19-14(15,20-13(18)8-15)11(9-16)10-5-3-2-4-6-10/h9-11H,2-8H2,1H3
InChIKey
PJUAFQNQEFKGFF-UHFFFAOYSA-N
Compound name
2-cyclohexyl-2-(5-methyl-3,7-dioxo-2,8-dioxa-5-azonia-1-boranuidabicyclo[3.3.0]octan-1-yl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.14346 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.15074 162.9
[M+Na]+ 304.13268 171.5
[M+NH4]+ 299.17728 172.5
[M+K]+ 320.10662 169.6
[M-H]- 280.13618 166.6
[M+Na-2H]- 302.11813 165.2
[M]+ 281.14291 165.0
[M]- 281.14401 165.0
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.