CID 12868356

70961-62-5

Structural Information

Molecular Formula
C5H11NOS
SMILES
CNC(=O)CCSC
InChI
InChI=1S/C5H11NOS/c1-6-5(7)3-4-8-2/h3-4H2,1-2H3,(H,6,7)
InChIKey
YBWOQUNBJGRKNJ-UHFFFAOYSA-N
Compound name
N-methyl-3-methylsulfanylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

133.05614 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.063416 126.9
[M+Na]+ 156.045358 133.7
[M-H]- 132.048864 127.5
[M+NH4]+ 151.089963 149.1
[M+K]+ 172.019298 132.8
[M+H-H2O]+ 116.053400 121.9
[M+HCOO]- 178.054341 145.8
[M+CH3COO]- 192.069991 174.0
[M+Na-2H]- 154.030806 129.9
[M]+ 133.05559142 129.0
[M]- 133.05668858 129.0
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