CID 2468238

2-(4-methyl-2-oxo-2,3-dihydro-1,3-thiazol-3-yl)acetic acid

Structural Information

Molecular Formula
C6H7NO3S
SMILES
CC1=CSC(=O)N1CC(=O)O
InChI
InChI=1S/C6H7NO3S/c1-4-3-11-6(10)7(4)2-5(8)9/h3H,2H2,1H3,(H,8,9)
InChIKey
RUXSNFPDNUJKLO-UHFFFAOYSA-N
Compound name
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

173.01466 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.02194 132.1
[M+Na]+ 196.00388 142.4
[M-H]- 172.00738 134.2
[M+NH4]+ 191.04848 153.1
[M+K]+ 211.97782 140.3
[M+H-H2O]+ 156.01192 127.0
[M+HCOO]- 218.01286 150.3
[M+CH3COO]- 232.02851 173.7
[M+Na-2H]- 193.98933 133.1
[M]+ 173.01411 135.5
[M]- 173.01521 135.6
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.