CID 48200

66859-56-1

Structural Information

Molecular Formula
C14H27NOS
SMILES
CCC(CC)(C(=O)NC1CCCCC1)SCC
InChI
InChI=1S/C14H27NOS/c1-4-14(5-2,17-6-3)13(16)15-12-10-8-7-9-11-12/h12H,4-11H2,1-3H3,(H,15,16)
InChIKey
VFKDTAYBPUAGSA-UHFFFAOYSA-N
Compound name
N-cyclohexyl-2-ethyl-2-ethylsulfanylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.18134 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.18862 164.0
[M+Na]+ 280.17056 165.8
[M-H]- 256.17406 165.7
[M+NH4]+ 275.21516 180.9
[M+K]+ 296.14450 163.1
[M+H-H2O]+ 240.17860 157.6
[M+HCOO]- 302.17954 176.1
[M+CH3COO]- 316.19519 197.8
[M+Na-2H]- 278.15601 163.6
[M]+ 257.18079 162.5
[M]- 257.18189 162.5
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.