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 151.3
[M+Na]+ 248.03518 158.3
[M-H]- 224.03868 155.9
[M+NH4]+ 243.07978 171.3
[M+K]+ 264.00912 156.3
[M+H-H2O]+ 208.04322 145.6
[M+HCOO]- 270.04416 166.9
[M+CH3COO]- 284.05981 181.4
[M+Na-2H]- 246.02063 148.1
[M]+ 225.04541 151.0
[M]- 225.04651 151.0
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

patents stripe