CID 165525154

En300-1456007

Structural Information

Molecular Formula
C11H15NO2S
SMILES
CC1=NC(=CS1)/C=C/C(=O)OC(C)(C)C
InChI
InChI=1S/C11H15NO2S/c1-8-12-9(7-15-8)5-6-10(13)14-11(2,3)4/h5-7H,1-4H3/b6-5+
InChIKey
KKBUDJUYRJXHHY-AATRIKPKSA-N
Compound name
tert-butyl (E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.08235 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.08963 152.5
[M+Na]+ 248.07157 161.1
[M-H]- 224.07507 155.4
[M+NH4]+ 243.11617 172.3
[M+K]+ 264.04551 158.8
[M+H-H2O]+ 208.07961 146.9
[M+HCOO]- 270.08055 169.0
[M+CH3COO]- 284.09620 186.3
[M+Na-2H]- 246.05702 152.9
[M]+ 225.08180 157.2
[M]- 225.08290 157.2
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.