CID 11263653

Ns00045893

Structural Information

Molecular Formula
C6H9NO2S
SMILES
CC1=N[C@@H](CS1)C(=O)OC
InChI
InChI=1S/C6H9NO2S/c1-4-7-5(3-10-4)6(8)9-2/h5H,3H2,1-2H3/t5-/m0/s1
InChIKey
GRNYICVXEZMNSA-YFKPBYRVSA-N
Compound name
methyl (4R)-2-methyl-4,5-dihydro-1,3-thiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

159.0354 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.042676 131.5
[M+Na]+ 182.024618 140.4
[M-H]- 158.028124 134.4
[M+NH4]+ 177.069223 153.6
[M+K]+ 197.998558 139.7
[M+H-H2O]+ 142.032660 126.0
[M+HCOO]- 204.033601 149.4
[M+CH3COO]- 218.049251 173.7
[M+Na-2H]- 180.010066 132.5
[M]+ 159.03485142 134.3
[M]- 159.03594858 134.3
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