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 140.6
[M+Na]+ 198.09231 146.3
[M-H]- 174.09581 141.0
[M+NH4]+ 193.13691 161.2
[M+K]+ 214.06625 145.5
[M+H-H2O]+ 158.10035 135.7
[M+HCOO]- 220.10129 156.0
[M+CH3COO]- 234.11694 184.2
[M+Na-2H]- 196.07776 141.8
[M]+ 175.10254 142.7
[M]- 175.10364 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.