CID 3056602

3-thiopheneacetamide, alpha,alpha-diallyl-

Structural Information

Molecular Formula
C12H15NOS
SMILES
C=CCC(CC=C)(C1=CSC=C1)C(=O)N
InChI
InChI=1S/C12H15NOS/c1-3-6-12(7-4-2,11(13)14)10-5-8-15-9-10/h3-5,8-9H,1-2,6-7H2,(H2,13,14)
InChIKey
MKLVUUFMLFVXJZ-UHFFFAOYSA-N
Compound name
2-prop-2-enyl-2-thiophen-3-ylpent-4-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.08743 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.09471 154.4
[M+Na]+ 244.07665 162.4
[M+NH4]+ 239.12125 161.6
[M+K]+ 260.05059 156.6
[M-H]- 220.08015 154.8
[M+Na-2H]- 242.06210 157.4
[M]+ 221.08688 155.8
[M]- 221.08798 155.8
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.