CID 162368337

3-[(1~{s},2~{s},5~{r})-2-carboxy-3,6-diazabicyclo[3.2.0]heptan-1-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide

Structural Information

Molecular Formula
C9H18BN2O5
SMILES
[B-](CCC[C@]12CN[C@H]1CN[C@@H]2C(=O)O)(O)(O)O
InChI
InChI=1S/C9H18BN2O5/c13-8(14)7-9(2-1-3-10(15,16)17)5-12-6(9)4-11-7/h6-7,11-12,15-17H,1-5H2,(H,13,14)/q-1/t6-,7+,9-/m0/s1
InChIKey
BCFOBXHGEQBWQU-OOZYFLPDSA-N
Compound name
3-[(1S,2S,5R)-2-carboxy-3,6-diazabicyclo[3.2.0]heptan-1-yl]propyl-trihydroxyboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.13087 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.13815 157.0
[M+Na]+ 268.12009 155.6
[M+NH4]+ 263.16469 156.8
[M+K]+ 284.09403 158.3
[M-H]- 244.12359 147.4
[M+Na-2H]- 266.10554 151.6
[M]+ 245.13032 151.8
[M]- 245.13142 151.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.