CID 3048538

Propionamide, 2-butylthio-2-methyl-

Structural Information

Molecular Formula
C8H17NOS
SMILES
CCCCSC(C)(C)C(=O)N
InChI
InChI=1S/C8H17NOS/c1-4-5-6-11-8(2,3)7(9)10/h4-6H2,1-3H3,(H2,9,10)
InChIKey
ZWSMHUSCFABOJA-UHFFFAOYSA-N
Compound name
2-butylsulfanyl-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.10309 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.11037 140.9
[M+Na]+ 198.09231 146.8
[M-H]- 174.09581 140.6
[M+NH4]+ 193.13691 161.2
[M+K]+ 214.06625 145.1
[M+H-H2O]+ 158.10035 135.8
[M+HCOO]- 220.10129 156.7
[M+CH3COO]- 234.11694 183.3
[M+Na-2H]- 196.07776 142.1
[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

patents stripe