CID 23509747

162650-62-6

Structural Information

Molecular Formula
C7H10N2O2S
SMILES
CC1=C(SC(=N1)N(C)C)C(=O)O
InChI
InChI=1S/C7H10N2O2S/c1-4-5(6(10)11)12-7(8-4)9(2)3/h1-3H3,(H,10,11)
InChIKey
AWFVJEVQVOMTOD-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-4-methyl-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

186.0463 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.053576 137.8
[M+Na]+ 209.035518 146.8
[M-H]- 185.039024 141.3
[M+NH4]+ 204.080123 158.7
[M+K]+ 225.009458 145.9
[M+H-H2O]+ 169.043560 132.0
[M+HCOO]- 231.044501 156.7
[M+CH3COO]- 245.060151 183.8
[M+Na-2H]- 207.020966 138.2
[M]+ 186.04575142 141.4
[M]- 186.04684858 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

patents stripe