CID 165525154

Tert-butyl (2e)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate

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]+ 226.089626 152.5
[M+Na]+ 248.071568 161.1
[M-H]- 224.075074 155.4
[M+NH4]+ 243.116173 172.3
[M+K]+ 264.045508 158.8
[M+H-H2O]+ 208.079610 146.9
[M+HCOO]- 270.080551 169.0
[M+CH3COO]- 284.096201 186.3
[M+Na-2H]- 246.057016 152.9
[M]+ 225.08180142 157.2
[M]- 225.08289858 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.