CID 365873

Nsc633949

Structural Information

Molecular Formula
C10H14N2O2S
SMILES
CCOC(=O)CC1=NC(=NCC=C)SC1
InChI
InChI=1S/C10H14N2O2S/c1-3-5-11-10-12-8(7-15-10)6-9(13)14-4-2/h3H,1,4-7H2,2H3
InChIKey
CSUANYZLGMEEHL-UHFFFAOYSA-N
Compound name
ethyl 2-(2-prop-2-enylimino-5H-1,3-thiazol-4-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.0776 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.084876 151.3
[M+Na]+ 249.066818 158.6
[M-H]- 225.070324 154.8
[M+NH4]+ 244.111423 171.0
[M+K]+ 265.040758 156.4
[M+H-H2O]+ 209.074860 144.4
[M+HCOO]- 271.075801 170.7
[M+CH3COO]- 285.091451 190.7
[M+Na-2H]- 247.052266 151.4
[M]+ 226.07705142 155.1
[M]- 226.07814858 155.1
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.