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]+ 223.053576 153.3
[M+Na]+ 245.035518 163.4
[M-H]- 221.039024 156.0
[M+NH4]+ 240.080123 170.8
[M+K]+ 261.009458 161.0
[M+H-H2O]+ 205.043560 140.2
[M+HCOO]- 267.044501 167.2
[M+CH3COO]- 281.060151 197.5
[M+Na-2H]- 243.020966 152.4
[M]+ 222.04575142 152.0
[M]- 222.04684858 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.