CID 58003668

Ethyl 2-cyano-3-(1,3-thiazol-2-yl)-2-propenoate

Structural Information

Molecular Formula
C9H8N2O2S
SMILES
CCOC(=O)C(=CC1=NC=CS1)C#N
InChI
InChI=1S/C9H8N2O2S/c1-2-13-9(12)7(6-10)5-8-11-3-4-14-8/h3-5H,2H2,1H3
InChIKey
BBYLFDLQPYHBQI-UHFFFAOYSA-N
Compound name
ethyl 2-cyano-3-(1,3-thiazol-2-yl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

208.03065 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.037926 150.1
[M+Na]+ 231.019868 159.9
[M-H]- 207.023374 152.6
[M+NH4]+ 226.064473 167.9
[M+K]+ 246.993808 157.6
[M+H-H2O]+ 191.027910 136.9
[M+HCOO]- 253.028851 164.4
[M+CH3COO]- 267.044501 193.8
[M+Na-2H]- 229.005316 150.1
[M]+ 208.03010142 148.2
[M]- 208.03119858 148.2
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