CID 345617

4-(methylsulfanyl)butanamide

Structural Information

Molecular Formula
C5H11NOS
SMILES
CSCCCC(=O)N
InChI
InChI=1S/C5H11NOS/c1-8-4-2-3-5(6)7/h2-4H2,1H3,(H2,6,7)
InChIKey
JCERQDSYEXAYTH-UHFFFAOYSA-N
Compound name
4-methylsulfanylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

133.05614 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.06342 127.8
[M+Na]+ 156.04536 136.5
[M+NH4]+ 151.08996 136.0
[M+K]+ 172.01930 129.7
[M-H]- 132.04886 127.8
[M+Na-2H]- 154.03081 130.5
[M]+ 133.05559 129.2
[M]- 133.05669 129.2
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