CID 3075853

128960-23-6

Structural Information

Molecular Formula
C7H15NOS
SMILES
CCCC(C(=O)N)SCC
InChI
InChI=1S/C7H15NOS/c1-3-5-6(7(8)9)10-4-2/h6H,3-5H2,1-2H3,(H2,8,9)
InChIKey
VYXWMJWZQUJONH-UHFFFAOYSA-N
Compound name
2-ethylsulfanylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

161.08743 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.09471 136.9
[M+Na]+ 184.07665 144.8
[M+NH4]+ 179.12125 144.6
[M+K]+ 200.05059 138.3
[M-H]- 160.08015 136.5
[M+Na-2H]- 182.06210 138.7
[M]+ 161.08688 138.0
[M]- 161.08798 138.0
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

patents stripe