CID 45051386

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

Structural Information

Molecular Formula
C8H6N2O2S
SMILES
COC(=O)/C(=C/C1=NC=CS1)/C#N
InChI
InChI=1S/C8H6N2O2S/c1-12-8(11)6(5-9)4-7-10-2-3-13-7/h2-4H,1H3/b6-4+
InChIKey
WNRZELQSOVEIDJ-GQCTYLIASA-N
Compound name
methyl (E)-2-cyano-3-(1,3-thiazol-2-yl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.015 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.02228 146.3
[M+Na]+ 217.00422 156.4
[M-H]- 193.00772 148.9
[M+NH4]+ 212.04882 164.5
[M+K]+ 232.97816 154.4
[M+H-H2O]+ 177.01226 133.2
[M+HCOO]- 239.01320 160.8
[M+CH3COO]- 253.02885 191.1
[M+Na-2H]- 214.98967 146.7
[M]+ 194.01445 144.0
[M]- 194.01555 144.0
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.