CID 22557517

1-(5-chlorothiophene-2-carbonyl)pyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C10H10ClNO3S
SMILES
C1CC(N(C1)C(=O)C2=CC=C(S2)Cl)C(=O)O
InChI
InChI=1S/C10H10ClNO3S/c11-8-4-3-7(16-8)9(13)12-5-1-2-6(12)10(14)15/h3-4,6H,1-2,5H2,(H,14,15)
InChIKey
TVIXLMZTSWAKCN-UHFFFAOYSA-N
Compound name
1-(5-chlorothiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

259.007 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.014276 157.5
[M+Na]+ 281.996218 166.0
[M-H]- 257.999724 162.5
[M+NH4]+ 277.040823 177.3
[M+K]+ 297.970158 162.3
[M+H-H2O]+ 242.004260 152.8
[M+HCOO]- 304.005201 168.5
[M+CH3COO]- 318.020851 186.4
[M+Na-2H]- 279.981666 153.3
[M]+ 259.00645142 159.5
[M]- 259.00754858 159.5
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