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]+ 260.01428 157.5
[M+Na]+ 281.99622 166.0
[M-H]- 257.99972 162.5
[M+NH4]+ 277.04082 177.3
[M+K]+ 297.97016 162.3
[M+H-H2O]+ 242.00426 152.8
[M+HCOO]- 304.00520 168.5
[M+CH3COO]- 318.02085 186.4
[M+Na-2H]- 279.98167 153.3
[M]+ 259.00645 159.5
[M]- 259.00755 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