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]+ 283.05118 158.1
[M+Na]+ 305.03312 163.3
[M-H]- 281.03662 156.0
[M+NH4]+ 300.07772 173.5
[M+K]+ 321.00706 160.8
[M+H-H2O]+ 265.04116 149.9
[M+HCOO]- 327.04210 177.6
[M+CH3COO]- 341.05775 193.0
[M+Na-2H]- 303.01857 156.3
[M]+ 282.04335 159.8
[M]- 282.04445 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.