CID 3056613

73812-48-3

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]+ 224.110366 152.2
[M+Na]+ 246.092308 155.8
[M-H]- 222.095814 157.4
[M+NH4]+ 241.136913 171.5
[M+K]+ 262.066248 152.9
[M+H-H2O]+ 206.100350 145.7
[M+HCOO]- 268.101291 167.3
[M+CH3COO]- 282.116941 187.8
[M+Na-2H]- 244.077756 150.0
[M]+ 223.10254142 147.3
[M]- 223.10363858 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.