CID 3056609

73812-40-5

Structural Information

Molecular Formula
C11H15NOS
SMILES
CCC(CC=C)(C1=CSC=C1)C(=O)N
InChI
InChI=1S/C11H15NOS/c1-3-6-11(4-2,10(12)13)9-5-7-14-8-9/h3,5,7-8H,1,4,6H2,2H3,(H2,12,13)
InChIKey
MGRPDFMEXMOGIB-UHFFFAOYSA-N
Compound name
2-ethyl-2-thiophen-3-ylpent-4-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.08743 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.09471 149.8
[M+Na]+ 232.07665 156.4
[M-H]- 208.08015 152.8
[M+NH4]+ 227.12125 170.3
[M+K]+ 248.05059 152.9
[M+H-H2O]+ 192.08469 144.2
[M+HCOO]- 254.08563 167.4
[M+CH3COO]- 268.10128 186.7
[M+Na-2H]- 230.06210 150.2
[M]+ 209.08688 150.5
[M]- 209.08798 150.5
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.