CID 165785348

En300-1456018

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]+ 212.07398 148.9
[M+Na]+ 234.05592 157.1
[M-H]- 210.05942 151.6
[M+NH4]+ 229.10052 169.0
[M+K]+ 250.02986 155.1
[M+H-H2O]+ 194.06396 143.2
[M+HCOO]- 256.06490 165.8
[M+CH3COO]- 270.08055 182.2
[M+Na-2H]- 232.04137 150.4
[M]+ 211.06615 152.9
[M]- 211.06725 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.