CID 263087

3-(methylsulfanyl)propanamide

Structural Information

Molecular Formula
C4H9NOS
SMILES
CSCCC(=O)N
InChI
InChI=1S/C4H9NOS/c1-7-3-2-4(5)6/h2-3H2,1H3,(H2,5,6)
InChIKey
UJCYEHJOKQZZHG-UHFFFAOYSA-N
Compound name
3-methylsulfanylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

270
Patents

119.04048 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.04776 122.6
[M+Na]+ 142.02970 129.8
[M-H]- 118.03320 122.8
[M+NH4]+ 137.07430 145.0
[M+K]+ 158.00364 128.7
[M+H-H2O]+ 102.03774 117.7
[M+HCOO]- 164.03868 141.2
[M+CH3COO]- 178.05433 171.0
[M+Na-2H]- 140.01515 125.1
[M]+ 119.03993 123.4
[M]- 119.04103 123.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe