CID 165782658

2-hydroxy-n-(2-methoxyethyl)-4-(methylsulfanyl)butanamide

Structural Information

Molecular Formula
C8H17NO3S
SMILES
COCCNC(=O)C(CCSC)O
InChI
InChI=1S/C8H17NO3S/c1-12-5-4-9-8(11)7(10)3-6-13-2/h7,10H,3-6H2,1-2H3,(H,9,11)
InChIKey
HRTJSYROAPHRCM-UHFFFAOYSA-N
Compound name
2-hydroxy-N-(2-methoxyethyl)-4-methylsulfanylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.09291 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.10019 147.4
[M+Na]+ 230.08213 153.9
[M+NH4]+ 225.12673 153.6
[M+K]+ 246.05607 148.4
[M-H]- 206.08563 145.5
[M+Na-2H]- 228.06758 148.0
[M]+ 207.09236 147.8
[M]- 207.09346 147.8
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

No patent data available for this compound.