CID 3051481

Propionamide, n,2-dimethyl-2-isopropylthio-

Structural Information

Molecular Formula
C8H17NOS
SMILES
CC(C)SC(C)(C)C(=O)NC
InChI
InChI=1S/C8H17NOS/c1-6(2)11-8(3,4)7(10)9-5/h6H,1-5H3,(H,9,10)
InChIKey
JDBIXTLOURSWDQ-UHFFFAOYSA-N
Compound name
N,2-dimethyl-2-propan-2-ylsulfanylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.10309 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.11037 142.7
[M+Na]+ 198.09231 150.5
[M+NH4]+ 193.13691 150.2
[M+K]+ 214.06625 144.7
[M-H]- 174.09581 141.9
[M+Na-2H]- 196.07776 144.6
[M]+ 175.10254 143.9
[M]- 175.10364 143.9
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.