CID 165785348

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

Structural Information

Molecular Formula
C10H13NO2S
SMILES
CC(C)(C)OC(=O)/C=C/C1=CSC=N1
InChI
InChI=1S/C10H13NO2S/c1-10(2,3)13-9(12)5-4-8-6-14-7-11-8/h4-7H,1-3H3/b5-4+
InChIKey
CIDVRWLUMDBSJX-SNAWJCMRSA-N
Compound name
tert-butyl (E)-3-(1,3-thiazol-4-yl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.0667 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.073976 148.9
[M+Na]+ 234.055918 157.1
[M-H]- 210.059424 151.6
[M+NH4]+ 229.100523 169.0
[M+K]+ 250.029858 155.1
[M+H-H2O]+ 194.063960 143.2
[M+HCOO]- 256.064901 165.8
[M+CH3COO]- 270.080551 182.2
[M+Na-2H]- 232.041366 150.4
[M]+ 211.06615142 152.9
[M]- 211.06724858 152.9
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.