CID 3035180

34272-64-5

Structural Information

Molecular Formula
C6H7NO2S2
SMILES
CC1=C(SC(=S)N1)CC(=O)O
InChI
InChI=1S/C6H7NO2S2/c1-3-4(2-5(8)9)11-6(10)7-3/h2H2,1H3,(H,7,10)(H,8,9)
InChIKey
KYBOCQHDFLVQIB-UHFFFAOYSA-N
Compound name
2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

254
Patents

188.99182 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.99910 135.7
[M+Na]+ 211.98104 145.7
[M-H]- 187.98454 136.1
[M+NH4]+ 207.02564 155.5
[M+K]+ 227.95498 140.7
[M+H-H2O]+ 171.98908 131.1
[M+HCOO]- 233.99002 146.3
[M+CH3COO]- 248.00567 174.2
[M+Na-2H]- 209.96649 133.9
[M]+ 188.99127 136.8
[M]- 188.99237 136.8
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.