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]+ 176.110366 140.6
[M+Na]+ 198.092308 146.3
[M-H]- 174.095814 141.0
[M+NH4]+ 193.136913 161.2
[M+K]+ 214.066248 145.5
[M+H-H2O]+ 158.100350 135.7
[M+HCOO]- 220.101291 156.0
[M+CH3COO]- 234.116941 184.2
[M+Na-2H]- 196.077756 141.8
[M]+ 175.10254142 142.7
[M]- 175.10363858 142.7
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.