CID 20088075

136204-50-7

Structural Information

Molecular Formula
C7H9NO3S
SMILES
CC1=C(SC(=N1)COC)C(=O)O
InChI
InChI=1S/C7H9NO3S/c1-4-6(7(9)10)12-5(8-4)3-11-2/h3H2,1-2H3,(H,9,10)
InChIKey
DSRGXKZFDRMHKN-UHFFFAOYSA-N
Compound name
2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

187.03032 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.03760 139.6
[M+Na]+ 210.01954 149.5
[M+NH4]+ 205.06414 146.7
[M+K]+ 225.99348 145.2
[M-H]- 186.02304 139.0
[M+Na-2H]- 208.00499 142.4
[M]+ 187.02977 141.0
[M]- 187.03087 141.0
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