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 153.4
[M+Na]+ 244.07665 159.8
[M-H]- 220.08015 156.3
[M+NH4]+ 239.12125 173.4
[M+K]+ 260.05059 155.6
[M+H-H2O]+ 204.08469 147.7
[M+HCOO]- 266.08563 170.9
[M+CH3COO]- 280.10128 188.8
[M+Na-2H]- 242.06210 153.3
[M]+ 221.08688 153.8
[M]- 221.08798 153.8
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.