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]+ 195.022276 146.3
[M+Na]+ 217.004218 156.4
[M-H]- 193.007724 148.9
[M+NH4]+ 212.048823 164.5
[M+K]+ 232.978158 154.4
[M+H-H2O]+ 177.012260 133.2
[M+HCOO]- 239.013201 160.8
[M+CH3COO]- 253.028851 191.1
[M+Na-2H]- 214.989666 146.7
[M]+ 194.01445142 144.0
[M]- 194.01554858 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.