CID 676250

Rh2(s-tbsp)4

Structural Information

Molecular Formula
C15H21NO4S
SMILES
CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)O
InChI
InChI=1S/C15H21NO4S/c1-15(2,3)11-6-8-12(9-7-11)21(19,20)16-10-4-5-13(16)14(17)18/h6-9,13H,4-5,10H2,1-3H3,(H,17,18)/t13-/m0/s1
InChIKey
DTTKDYYHVNHFSJ-ZDUSSCGKSA-N
Compound name
(2S)-1-(4-tert-butylphenyl)sulfonylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

30
Patents

311.11914 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.12642 172.2
[M+Na]+ 334.10836 178.6
[M-H]- 310.11186 176.3
[M+NH4]+ 329.15296 187.2
[M+K]+ 350.08230 175.5
[M+H-H2O]+ 294.11640 166.4
[M+HCOO]- 356.11734 183.6
[M+CH3COO]- 370.13299 198.6
[M+Na-2H]- 332.09381 172.1
[M]+ 311.11859 173.4
[M]- 311.11969 173.4
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