CID 154577108

2-amino-n-(2-hydroxyethyl)-3-(methylsulfanyl)propanamide hydrochloride

Structural Information

Molecular Formula
C6H14N2O2S
SMILES
CSCC(C(=O)NCCO)N
InChI
InChI=1S/C6H14N2O2S/c1-11-4-5(7)6(10)8-2-3-9/h5,9H,2-4,7H2,1H3,(H,8,10)
InChIKey
VPJOOVOZGNUNNW-UHFFFAOYSA-N
Compound name
2-amino-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.0776 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08488 139.3
[M+Na]+ 201.06682 143.8
[M-H]- 177.07032 137.3
[M+NH4]+ 196.11142 157.9
[M+K]+ 217.04076 142.0
[M+H-H2O]+ 161.07486 133.3
[M+HCOO]- 223.07580 155.7
[M+CH3COO]- 237.09145 181.7
[M+Na-2H]- 199.05227 139.5
[M]+ 178.07705 138.6
[M]- 178.07815 138.6
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.