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]+ 209.03793 149.5
[M+Na]+ 231.01987 159.9
[M-H]- 207.02337 152.3
[M+NH4]+ 226.06447 167.5
[M+K]+ 246.99381 157.8
[M+H-H2O]+ 191.02791 136.5
[M+HCOO]- 253.02885 163.7
[M+CH3COO]- 267.04450 194.8
[M+Na-2H]- 229.00532 148.9
[M]+ 208.03010 147.8
[M]- 208.03120 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.