CID 16787951

1-[2-(thiophen-2-yl)acetyl]pyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C11H13NO3S
SMILES
C1CC(N(C1)C(=O)CC2=CC=CS2)C(=O)O
InChI
InChI=1S/C11H13NO3S/c13-10(7-8-3-2-6-16-8)12-5-1-4-9(12)11(14)15/h2-3,6,9H,1,4-5,7H2,(H,14,15)
InChIKey
AAYIFEJNJRFLKJ-UHFFFAOYSA-N
Compound name
1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.06161 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.06889 154.7
[M+Na]+ 262.05083 162.3
[M+NH4]+ 257.09543 161.7
[M+K]+ 278.02477 159.9
[M-H]- 238.05433 155.1
[M+Na-2H]- 260.03628 157.2
[M]+ 239.06106 155.9
[M]- 239.06216 155.9
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

No patent data available for this compound.