CID 105408

Propanamide, n-(2-mercaptoethyl)-

Structural Information

Molecular Formula
C5H11NOS
SMILES
CCC(=O)NCCS
InChI
InChI=1S/C5H11NOS/c1-2-5(7)6-3-4-8/h8H,2-4H2,1H3,(H,6,7)
InChIKey
WNZWVZCUFRJIBG-UHFFFAOYSA-N
Compound name
N-(2-sulfanylethyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

457
Patents

133.05614 Da
Monoisotopic Mass

0.3
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

literature stripe

Patent stripe

patents stripe