CID 4962814

848658-78-6

Structural Information

Molecular Formula
C9H10N2O3S
SMILES
C1CC(=O)N(C1)C2=NC(=CS2)CC(=O)O
InChI
InChI=1S/C9H10N2O3S/c12-7-2-1-3-11(7)9-10-6(5-15-9)4-8(13)14/h5H,1-4H2,(H,13,14)
InChIKey
ALIZCAWAWGTRCZ-UHFFFAOYSA-N
Compound name
2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

226.04121 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.048486 149.1
[M+Na]+ 249.030428 157.6
[M-H]- 225.033934 152.7
[M+NH4]+ 244.075033 168.0
[M+K]+ 265.004368 155.3
[M+H-H2O]+ 209.038470 142.9
[M+HCOO]- 271.039411 164.8
[M+CH3COO]- 285.055061 182.2
[M+Na-2H]- 247.015876 146.6
[M]+ 226.04066142 150.0
[M]- 226.04175858 150.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.