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 156.3
[M+Na]+ 260.10795 157.1
[M-H]- 236.11145 162.2
[M+NH4]+ 255.15255 173.4
[M+K]+ 276.08189 158.6
[M+H-H2O]+ 220.11599 149.9
[M+HCOO]- 282.11693 170.2
[M+CH3COO]- 296.13258 192.1
[M+Na-2H]- 258.09340 153.1
[M]+ 237.11818 148.5
[M]- 237.11928 148.5
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.