CID 3075852

2-propyl-5-thiahexanamide

Structural Information

Molecular Formula
C8H17NOS
SMILES
CCCC(CCSC)C(=O)N
InChI
InChI=1S/C8H17NOS/c1-3-4-7(8(9)10)5-6-11-2/h7H,3-6H2,1-2H3,(H2,9,10)
InChIKey
DLEJADYLYTUCHS-UHFFFAOYSA-N
Compound name
2-(2-methylsulfanylethyl)pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 141.1
[M+Na]+ 198.092308 146.2
[M-H]- 174.095814 140.5
[M+NH4]+ 193.136913 161.2
[M+K]+ 214.066248 144.6
[M+H-H2O]+ 158.100350 135.4
[M+HCOO]- 220.101291 157.3
[M+CH3COO]- 234.116941 183.9
[M+Na-2H]- 196.077756 140.4
[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

patents stripe