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 144.4
[M+Na]+ 241.02535 153.5
[M-H]- 217.02885 145.8
[M+NH4]+ 236.06995 162.7
[M+K]+ 256.99929 151.0
[M+H-H2O]+ 201.03339 139.0
[M+HCOO]- 263.03433 161.3
[M+CH3COO]- 277.04998 182.8
[M+Na-2H]- 239.01080 145.5
[M]+ 218.03558 146.5
[M]- 218.03668 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.