CID 3056612

73812-47-2

Structural Information

Molecular Formula
C13H19NOS
SMILES
C1CCCC(CC1)C(C2=CSC=C2)C(=O)N
InChI
InChI=1S/C13H19NOS/c14-13(15)12(11-7-8-16-9-11)10-5-3-1-2-4-6-10/h7-10,12H,1-6H2,(H2,14,15)
InChIKey
BUJFXCUELMYQDR-UHFFFAOYSA-N
Compound name
2-cycloheptyl-2-thiophen-3-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.11873 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.12601 154.9
[M+Na]+ 260.10795 161.1
[M+NH4]+ 255.15255 162.8
[M+K]+ 276.08189 157.0
[M-H]- 236.11145 158.0
[M+Na-2H]- 258.09340 159.3
[M]+ 237.11818 156.8
[M]- 237.11928 156.8
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.