CID 207989

2-(2-succinimidoethylamino)ethanethiol monosodium phosphate (ester) trihydrate

Structural Information

Molecular Formula
C8H15N2O5PS
SMILES
C1CC(=O)N(C1=O)CCNCCSP(=O)(O)O
InChI
InChI=1S/C8H15N2O5PS/c11-7-1-2-8(12)10(7)5-3-9-4-6-17-16(13,14)15/h9H,1-6H2,(H2,13,14,15)
InChIKey
CSUKPHKUJQFVJN-UHFFFAOYSA-N
Compound name
2-[2-(2,5-dioxopyrrolidin-1-yl)ethylamino]ethylsulfanylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.0439 Da
Monoisotopic Mass

-5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.051176 158.1
[M+Na]+ 305.033118 163.3
[M-H]- 281.036624 156.0
[M+NH4]+ 300.077723 173.5
[M+K]+ 321.007058 160.8
[M+H-H2O]+ 265.041160 149.9
[M+HCOO]- 327.042101 177.6
[M+CH3COO]- 341.057751 193.0
[M+Na-2H]- 303.018566 156.3
[M]+ 282.04335142 159.8
[M]- 282.04444858 159.8
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

No patent data available for this compound.