CID 165768424

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

Structural Information

Molecular Formula
C7H16N2O2S
SMILES
CN(CCO)C(=O)C(CSC)N
InChI
InChI=1S/C7H16N2O2S/c1-9(3-4-10)7(11)6(8)5-12-2/h6,10H,3-5,8H2,1-2H3
InChIKey
CWUWXRNESJCPDC-UHFFFAOYSA-N
Compound name
2-amino-N-(2-hydroxyethyl)-N-methyl-3-methylsulfanylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.09325 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.10053 144.3
[M+Na]+ 215.08247 148.5
[M-H]- 191.08597 143.7
[M+NH4]+ 210.12707 163.1
[M+K]+ 231.05641 148.0
[M+H-H2O]+ 175.09051 138.0
[M+HCOO]- 237.09145 160.9
[M+CH3COO]- 251.10710 188.1
[M+Na-2H]- 213.06792 143.3
[M]+ 192.09270 145.3
[M]- 192.09380 145.3
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.