CID 45051306

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

Structural Information

Molecular Formula
C10H10N2O2S
SMILES
CCOC(=O)/C(=C/C1=NC(=CS1)C)/C#N
InChI
InChI=1S/C10H10N2O2S/c1-3-14-10(13)8(5-11)4-9-12-7(2)6-15-9/h4,6H,3H2,1-2H3/b8-4+
InChIKey
LLPZXVSZXFBMHW-XBXARRHUSA-N
Compound name
ethyl (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

222.0463 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.05358 153.3
[M+Na]+ 245.03552 163.4
[M-H]- 221.03902 156.0
[M+NH4]+ 240.08012 170.8
[M+K]+ 261.00946 161.0
[M+H-H2O]+ 205.04356 140.2
[M+HCOO]- 267.04450 167.2
[M+CH3COO]- 281.06015 197.5
[M+Na-2H]- 243.02097 152.4
[M]+ 222.04575 152.0
[M]- 222.04685 152.0
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.