CID 115422715

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

Structural Information

Molecular Formula
C7H10N2O2S
SMILES
CC1=C(N=C(S1)N(C)C)C(=O)O
InChI
InChI=1S/C7H10N2O2S/c1-4-5(6(10)11)8-7(12-4)9(2)3/h1-3H3,(H,10,11)
InChIKey
IIKSVXFMGGXGMC-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-5-methyl-1,3-thiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.0463 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.05358 137.8
[M+Na]+ 209.03552 146.8
[M-H]- 185.03902 141.3
[M+NH4]+ 204.08012 158.7
[M+K]+ 225.00946 145.9
[M+H-H2O]+ 169.04356 132.0
[M+HCOO]- 231.04450 156.7
[M+CH3COO]- 245.06015 183.8
[M+Na-2H]- 207.02097 138.2
[M]+ 186.04575 141.4
[M]- 186.04685 141.4
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.