CID 7131113

4-(pyrrolidine-1-sulfonyl)-1h-pyrrole-2-carboxylic acid

Structural Information

Molecular Formula
C9H12N2O4S
SMILES
C1CCN(C1)S(=O)(=O)C2=CNC(=C2)C(=O)O
InChI
InChI=1S/C9H12N2O4S/c12-9(13)8-5-7(6-10-8)16(14,15)11-3-1-2-4-11/h5-6,10H,1-4H2,(H,12,13)
InChIKey
SEXGWTLWMPYETM-UHFFFAOYSA-N
Compound name
4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

244.05177 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.05905 154.0
[M+Na]+ 267.04099 161.4
[M-H]- 243.04449 156.1
[M+NH4]+ 262.08559 171.1
[M+K]+ 283.01493 158.8
[M+H-H2O]+ 227.04903 148.4
[M+HCOO]- 289.04997 167.0
[M+CH3COO]- 303.06562 180.3
[M+Na-2H]- 265.02644 153.0
[M]+ 244.05122 152.9
[M]- 244.05232 152.9
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

patents stripe