CID 82404763

5-methanesulfonyl-1h-pyrrole-2-carboxylic acid

Structural Information

Molecular Formula
C6H7NO4S
SMILES
CS(=O)(=O)C1=CC=C(N1)C(=O)O
InChI
InChI=1S/C6H7NO4S/c1-12(10,11)5-3-2-4(7-5)6(8)9/h2-3,7H,1H3,(H,8,9)
InChIKey
OOYWEECLLQOIBG-UHFFFAOYSA-N
Compound name
5-methylsulfonyl-1H-pyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

189.00958 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.01686 139.2
[M+Na]+ 211.99880 147.5
[M+NH4]+ 207.04340 144.7
[M+K]+ 227.97274 145.2
[M-H]- 188.00230 136.3
[M+Na-2H]- 209.98425 141.1
[M]+ 189.00903 139.5
[M]- 189.01013 139.5
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