CID 59807

Thioacetic acid s-2-(3-aminopropionamido)ethyl ester hydrobromide

Structural Information

Molecular Formula
C7H14N2O2S
SMILES
CC(=O)SCCNC(=O)CCN
InChI
InChI=1S/C7H14N2O2S/c1-6(10)12-5-4-9-7(11)2-3-8/h2-5,8H2,1H3,(H,9,11)
InChIKey
SLVHIOYDKSBAGP-UHFFFAOYSA-N
Compound name
S-[2-(3-aminopropanoylamino)ethyl] ethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

190.0776 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.08488 143.3
[M+Na]+ 213.06682 149.4
[M+NH4]+ 208.11142 149.6
[M+K]+ 229.04076 143.8
[M-H]- 189.07032 142.2
[M+Na-2H]- 211.05227 144.2
[M]+ 190.07705 143.8
[M]- 190.07815 143.8
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

patents stripe