CID 45051299

Methyl 2-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-propenoate

Structural Information

Molecular Formula
C9H8N2O2S
SMILES
CC1=CSC(=N1)/C=C(\C#N)/C(=O)OC
InChI
InChI=1S/C9H8N2O2S/c1-6-5-14-8(11-6)3-7(4-10)9(12)13-2/h3,5H,1-2H3/b7-3+
InChIKey
XDAWTIRTNBQIRG-XVNBXDOJSA-N
Compound name
methyl (E)-2-cyano-3-(4-methyl-1,3-thiazol-2-yl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 149.5
[M+Na]+ 231.019868 159.9
[M-H]- 207.023374 152.3
[M+NH4]+ 226.064473 167.5
[M+K]+ 246.993808 157.8
[M+H-H2O]+ 191.027910 136.5
[M+HCOO]- 253.028851 163.7
[M+CH3COO]- 267.044501 194.8
[M+Na-2H]- 229.005316 148.9
[M]+ 208.03010142 147.8
[M]- 208.03119858 147.8
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.