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

16
Patents

161.08743 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.094706 135.9
[M+Na]+ 184.076648 142.0
[M-H]- 160.080154 137.7
[M+NH4]+ 179.121253 157.7
[M+K]+ 200.050588 142.1
[M+H-H2O]+ 144.084690 130.3
[M+HCOO]- 206.085631 154.6
[M+CH3COO]- 220.101281 183.6
[M+Na-2H]- 182.062096 137.3
[M]+ 161.08688142 140.0
[M]- 161.08797858 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