CID 165771305

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

Structural Information

Molecular Formula
C8H18N2O2S
SMILES
CN(CCCO)C(=O)C(CSC)N
InChI
InChI=1S/C8H18N2O2S/c1-10(4-3-5-11)8(12)7(9)6-13-2/h7,11H,3-6,9H2,1-2H3
InChIKey
IVLKGSWIHQXGPZ-UHFFFAOYSA-N
Compound name
2-amino-N-(3-hydroxypropyl)-N-methyl-3-methylsulfanylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.1089 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.11618 148.7
[M+Na]+ 229.09812 152.5
[M-H]- 205.10162 147.9
[M+NH4]+ 224.14272 166.9
[M+K]+ 245.07206 151.8
[M+H-H2O]+ 189.10616 142.2
[M+HCOO]- 251.10710 165.0
[M+CH3COO]- 265.12275 191.1
[M+Na-2H]- 227.08357 147.3
[M]+ 206.10835 150.1
[M]- 206.10945 150.1
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.