CID 364286

Nsc630304

Structural Information

Molecular Formula
C10H14N2O2S
SMILES
CCOC(=O)C1C(=NC(=NCC=C)S1)C
InChI
InChI=1S/C10H14N2O2S/c1-4-6-11-10-12-7(3)8(15-10)9(13)14-5-2/h4,8H,1,5-6H2,2-3H3
InChIKey
TZBXXJJVVBZVHF-UHFFFAOYSA-N
Compound name
ethyl 4-methyl-2-prop-2-enylimino-5H-1,3-thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.0776 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.08488 150.7
[M+Na]+ 249.06682 158.9
[M-H]- 225.07032 154.6
[M+NH4]+ 244.11142 170.7
[M+K]+ 265.04076 156.6
[M+H-H2O]+ 209.07486 144.1
[M+HCOO]- 271.07580 170.1
[M+CH3COO]- 285.09145 191.8
[M+Na-2H]- 247.05227 150.2
[M]+ 226.07705 154.9
[M]- 226.07815 154.9
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.