CID 255363

19692-00-3

Structural Information

Molecular Formula
C7H8N2O3S
SMILES
C1=CSC(=N1)NC(=O)CCC(=O)O
InChI
InChI=1S/C7H8N2O3S/c10-5(1-2-6(11)12)9-7-8-3-4-13-7/h3-4H,1-2H2,(H,11,12)(H,8,9,10)
InChIKey
SVMGZMBKMJRZLI-UHFFFAOYSA-N
Compound name
4-oxo-4-(1,3-thiazol-2-ylamino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

12
Patents

200.02556 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.03284 141.6
[M+Na]+ 223.01478 148.5
[M-H]- 199.01828 142.8
[M+NH4]+ 218.05938 160.4
[M+K]+ 238.98872 146.6
[M+H-H2O]+ 183.02282 135.2
[M+HCOO]- 245.02376 159.5
[M+CH3COO]- 259.03941 179.4
[M+Na-2H]- 221.00023 142.9
[M]+ 200.02501 143.1
[M]- 200.02611 143.1
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

patents stripe