CID 9504102

2-[4-methyl-2-(methylsulfanyl)-1,3-thiazol-5-yl]acetic acid

Structural Information

Molecular Formula
C7H9NO2S2
SMILES
CC1=C(SC(=N1)SC)CC(=O)O
InChI
InChI=1S/C7H9NO2S2/c1-4-5(3-6(9)10)12-7(8-4)11-2/h3H2,1-2H3,(H,9,10)
InChIKey
GOJQXKIEZOXVJX-UHFFFAOYSA-N
Compound name
2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

203.00748 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.01476 143.2
[M+Na]+ 225.99670 152.8
[M+NH4]+ 221.04130 151.1
[M+K]+ 241.97064 146.1
[M-H]- 202.00020 143.4
[M+Na-2H]- 223.98215 145.3
[M]+ 203.00693 145.3
[M]- 203.00803 145.3
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

patents stripe