CID 165943915

2703774-83-6

Structural Information

Molecular Formula
C7H14N2O2S
SMILES
CC(=O)NCCSC(=O)CCN
InChI
InChI=1S/C7H14N2O2S/c1-6(10)9-4-5-12-7(11)2-3-8/h2-5,8H2,1H3,(H,9,10)
InChIKey
CVTFFGXISDAVDW-UHFFFAOYSA-N
Compound name
S-(2-acetamidoethyl) 3-aminopropanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.0776 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.084876 142.7
[M+Na]+ 213.066818 147.7
[M-H]- 189.070324 142.2
[M+NH4]+ 208.111423 161.7
[M+K]+ 229.040758 146.0
[M+H-H2O]+ 173.074860 136.5
[M+HCOO]- 235.075801 160.6
[M+CH3COO]- 249.091451 185.6
[M+Na-2H]- 211.052266 143.0
[M]+ 190.07705142 143.6
[M]- 190.07814858 143.6
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.