CID 3052705

2-(3-succinimidopropylamino)ethanethiol monosodium phosphate (ester) trihydrate

Structural Information

Molecular Formula
C9H17N2O5PS
SMILES
C1CC(=O)N(C1=O)CCCNCCSP(=O)(O)O
InChI
InChI=1S/C9H17N2O5PS/c12-8-2-3-9(13)11(8)6-1-4-10-5-7-18-17(14,15)16/h10H,1-7H2,(H2,14,15,16)
InChIKey
ICVGVERAUSGWRB-UHFFFAOYSA-N
Compound name
2-[3-(2,5-dioxopyrrolidin-1-yl)propylamino]ethylsulfanylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.05957 Da
Monoisotopic Mass

-4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.06685 162.4
[M+Na]+ 319.04879 167.2
[M-H]- 295.05229 160.2
[M+NH4]+ 314.09339 177.2
[M+K]+ 335.02273 164.5
[M+H-H2O]+ 279.05683 154.0
[M+HCOO]- 341.05777 181.6
[M+CH3COO]- 355.07342 196.0
[M+Na-2H]- 317.03424 160.2
[M]+ 296.05902 164.5
[M]- 296.06012 164.5
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.