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]+ 227.08488 151.3
[M+Na]+ 249.06682 158.6
[M-H]- 225.07032 154.8
[M+NH4]+ 244.11142 171.0
[M+K]+ 265.04076 156.4
[M+H-H2O]+ 209.07486 144.4
[M+HCOO]- 271.07580 170.7
[M+CH3COO]- 285.09145 190.7
[M+Na-2H]- 247.05227 151.4
[M]+ 226.07705 155.1
[M]- 226.07815 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.