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]+ 227.04849 149.1
[M+Na]+ 249.03043 157.6
[M-H]- 225.03393 152.7
[M+NH4]+ 244.07503 168.0
[M+K]+ 265.00437 155.3
[M+H-H2O]+ 209.03847 142.9
[M+HCOO]- 271.03941 164.8
[M+CH3COO]- 285.05506 182.2
[M+Na-2H]- 247.01588 146.6
[M]+ 226.04066 150.0
[M]- 226.04176 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.