CID 3056613

Alpha-cyclohexyl-3-thiopheneacetamide

Structural Information

Molecular Formula
C12H17NOS
SMILES
C1CCC(CC1)C(C2=CSC=C2)C(=O)N
InChI
InChI=1S/C12H17NOS/c13-12(14)11(10-6-7-15-8-10)9-4-2-1-3-5-9/h6-9,11H,1-5H2,(H2,13,14)
InChIKey
NIRFQDLKYZQNBP-UHFFFAOYSA-N
Compound name
2-cyclohexyl-2-thiophen-3-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.10309 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.11037 152.2
[M+Na]+ 246.09231 155.8
[M-H]- 222.09581 157.4
[M+NH4]+ 241.13691 171.5
[M+K]+ 262.06625 152.9
[M+H-H2O]+ 206.10035 145.7
[M+HCOO]- 268.10129 167.3
[M+CH3COO]- 282.11694 187.8
[M+Na-2H]- 244.07776 150.0
[M]+ 223.10254 147.3
[M]- 223.10364 147.3
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.