CID 10198228

(2r)-n-[(2r)-2-(dihydroxyboryl)-1-l-prolylpyrrolidin-2-yl]-n-[(5r)-5-(dihydroxyboryl)-1-l-prolylpyrrolidin-2-yl]-l-prolinamide

Structural Information

Molecular Formula
C9H17BN2O3
SMILES
B([C@@H]1CCCN1C(=O)[C@@H]2CCCN2)(O)O
InChI
InChI=1S/C9H17BN2O3/c13-9(7-3-1-5-11-7)12-6-2-4-8(12)10(14)15/h7-8,11,14-15H,1-6H2/t7-,8-/m0/s1
InChIKey
XSBZZZGVAIXJLD-YUMQZZPRSA-N
Compound name
[(2R)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

226
Patents

212.13322 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.14050 150.0
[M+Na]+ 235.12244 153.1
[M-H]- 211.12594 149.3
[M+NH4]+ 230.16704 166.8
[M+K]+ 251.09638 151.2
[M+H-H2O]+ 195.13048 143.1
[M+HCOO]- 257.13142 163.2
[M+CH3COO]- 271.14707 176.7
[M+Na-2H]- 233.10789 146.9
[M]+ 212.13267 141.6
[M]- 212.13377 141.6
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

patents stripe