CID 85650766

2-amino-3-(methylsulfanyl)-n-[3-(methylsulfanyl)propyl]propanamide

Structural Information

Molecular Formula
C8H18N2OS2
SMILES
CSCCCNC(=O)C(CSC)N
InChI
InChI=1S/C8H18N2OS2/c1-12-5-3-4-10-8(11)7(9)6-13-2/h7H,3-6,9H2,1-2H3,(H,10,11)
InChIKey
DNPVFVNWNXLPDF-UHFFFAOYSA-N
Compound name
2-amino-3-methylsulfanyl-N-(3-methylsulfanylpropyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.08606 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.09334 148.6
[M+Na]+ 245.07528 152.4
[M-H]- 221.07878 147.2
[M+NH4]+ 240.11988 166.2
[M+K]+ 261.04922 148.7
[M+H-H2O]+ 205.08332 141.7
[M+HCOO]- 267.08426 159.3
[M+CH3COO]- 281.09991 192.8
[M+Na-2H]- 243.06073 146.5
[M]+ 222.08551 149.7
[M]- 222.08661 149.7
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.