CID 90339143

3-(ethylsulfanyl)-n,n-dimethylpropanamide

Structural Information

Molecular Formula
C7H15NOS
SMILES
CCSCCC(=O)N(C)C
InChI
InChI=1S/C7H15NOS/c1-4-10-6-5-7(9)8(2)3/h4-6H2,1-3H3
InChIKey
MIYAYYZFSTVGFJ-UHFFFAOYSA-N
Compound name
3-ethylsulfanyl-N,N-dimethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

161.08743 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.09471 135.9
[M+Na]+ 184.07665 142.0
[M-H]- 160.08015 137.7
[M+NH4]+ 179.12125 157.7
[M+K]+ 200.05059 142.1
[M+H-H2O]+ 144.08469 130.3
[M+HCOO]- 206.08563 154.6
[M+CH3COO]- 220.10128 183.6
[M+Na-2H]- 182.06210 137.3
[M]+ 161.08688 140.0
[M]- 161.08798 140.0
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