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]+ 219.043406 144.4
[M+Na]+ 241.025348 153.5
[M-H]- 217.028854 145.8
[M+NH4]+ 236.069953 162.7
[M+K]+ 256.999288 151.0
[M+H-H2O]+ 201.033390 139.0
[M+HCOO]- 263.034331 161.3
[M+CH3COO]- 277.049981 182.8
[M+Na-2H]- 239.010796 145.5
[M]+ 218.03558142 146.5
[M]- 218.03667858 146.5
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

No patent data available for this compound.