CID 100752909

2-(1-methyl-4-sulfamoyl-1h-pyrrol-2-yl)acetic acid

Structural Information

Molecular Formula
C7H10N2O4S
SMILES
CN1C=C(C=C1CC(=O)O)S(=O)(=O)N
InChI
InChI=1S/C7H10N2O4S/c1-9-4-6(14(8,12)13)2-5(9)3-7(10)11/h2,4H,3H2,1H3,(H,10,11)(H2,8,12,13)
InChIKey
QMEROBMSOMCRCV-UHFFFAOYSA-N
Compound name
2-(1-methyl-4-sulfamoylpyrrol-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.03613 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.04341 146.7
[M+Na]+ 241.02535 154.1
[M+NH4]+ 236.06995 151.7
[M+K]+ 256.99929 152.1
[M-H]- 217.02885 144.4
[M+Na-2H]- 239.01080 148.0
[M]+ 218.03558 147.0
[M]- 218.03668 147.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.