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

12
Patents

208.03065 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.03793 150.1
[M+Na]+ 231.01987 159.9
[M-H]- 207.02337 152.6
[M+NH4]+ 226.06447 167.9
[M+K]+ 246.99381 157.6
[M+H-H2O]+ 191.02791 136.9
[M+HCOO]- 253.02885 164.4
[M+CH3COO]- 267.04450 193.8
[M+Na-2H]- 229.00532 150.1
[M]+ 208.03010 148.2
[M]- 208.03120 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