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

0
References

20
Patents

225.04596 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.053236 151.3
[M+Na]+ 248.035178 158.3
[M-H]- 224.038684 155.9
[M+NH4]+ 243.079783 171.3
[M+K]+ 264.009118 156.3
[M+H-H2O]+ 208.043220 145.6
[M+HCOO]- 270.044161 166.9
[M+CH3COO]- 284.059811 181.4
[M+Na-2H]- 246.020626 148.1
[M]+ 225.04541142 151.0
[M]- 225.04650858 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