CID 7131160

871478-71-6

Structural Information

Molecular Formula
C12H14N2O5S
SMILES
C1CC(=O)N(C1)C2=CC=C(C=C2)S(=O)(=O)NCC(=O)O
InChI
InChI=1S/C12H14N2O5S/c15-11-2-1-7-14(11)9-3-5-10(6-4-9)20(18,19)13-8-12(16)17/h3-6,13H,1-2,7-8H2,(H,16,17)
InChIKey
OABMUNJMPKMMHH-UHFFFAOYSA-N
Compound name
2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.06235 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.06963 164.5
[M+Na]+ 321.05157 170.9
[M-H]- 297.05507 168.6
[M+NH4]+ 316.09617 179.1
[M+K]+ 337.02551 167.6
[M+H-H2O]+ 281.05961 157.9
[M+HCOO]- 343.06055 179.7
[M+CH3COO]- 357.07620 196.4
[M+Na-2H]- 319.03702 165.6
[M]+ 298.06180 165.1
[M]- 298.06290 165.1
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.