CID 10313220

2-hydroxy-4-(methylsulfanyl)butanamide

Structural Information

Molecular Formula
C5H11NO2S
SMILES
CSCCC(C(=O)N)O
InChI
InChI=1S/C5H11NO2S/c1-9-3-2-4(7)5(6)8/h4,7H,2-3H2,1H3,(H2,6,8)
InChIKey
INTUDBWOILOBCE-UHFFFAOYSA-N
Compound name
2-hydroxy-4-methylsulfanylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

319
Patents

149.05106 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.05834 131.3
[M+Na]+ 172.04028 137.2
[M-H]- 148.04378 129.8
[M+NH4]+ 167.08488 151.6
[M+K]+ 188.01422 135.8
[M+H-H2O]+ 132.04832 126.2
[M+HCOO]- 194.04926 147.2
[M+CH3COO]- 208.06491 174.3
[M+Na-2H]- 170.02573 131.7
[M]+ 149.05051 131.3
[M]- 149.05161 131.3
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