CID 714593

(2s)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C10H11NO3S
SMILES
C1C[C@H](N(C1)C(=O)C2=CC=CS2)C(=O)O
InChI
InChI=1S/C10H11NO3S/c12-9(8-4-2-6-15-8)11-5-1-3-7(11)10(13)14/h2,4,6-7H,1,3,5H2,(H,13,14)/t7-/m0/s1
InChIKey
IILFMWQTZZFXTM-ZETCQYMHSA-N
Compound name
(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

18
Patents

225.04596 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.05324 150.5
[M+Na]+ 248.03518 158.2
[M+NH4]+ 243.07978 157.6
[M+K]+ 264.00912 156.1
[M-H]- 224.03868 150.9
[M+Na-2H]- 246.02063 153.2
[M]+ 225.04541 151.7
[M]- 225.04651 151.7
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

patents stripe