CID 43155300

4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid

Structural Information

Molecular Formula
C9H13NO2S
SMILES
CC1=C(SC(=N1)CC(C)C)C(=O)O
InChI
InChI=1S/C9H13NO2S/c1-5(2)4-7-10-6(3)8(13-7)9(11)12/h5H,4H2,1-3H3,(H,11,12)
InChIKey
DTCTYXWBPYEBGO-UHFFFAOYSA-N
Compound name
4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

199.0667 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.07398 145.0
[M+Na]+ 222.05592 154.6
[M+NH4]+ 217.10052 152.3
[M+K]+ 238.02986 150.2
[M-H]- 198.05942 144.7
[M+Na-2H]- 220.04137 147.5
[M]+ 199.06615 146.5
[M]- 199.06725 146.5
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