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 155.6
[M+Na]+ 281.99622 164.5
[M+NH4]+ 277.04082 163.0
[M+K]+ 297.97016 161.7
[M-H]- 257.99972 156.1
[M+Na-2H]- 279.98167 158.3
[M]+ 259.00645 157.4
[M]- 259.00755 157.4
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