CID 92478

56643-24-4

Structural Information

Molecular Formula
C7H19N2O4PS
SMILES
C(CNCCO)CNCCSP(=O)(O)O
InChI
InChI=1S/C7H19N2O4PS/c10-6-4-8-2-1-3-9-5-7-15-14(11,12)13/h8-10H,1-7H2,(H2,11,12,13)
InChIKey
FFSHJQVIKQNKOB-UHFFFAOYSA-N
Compound name
2-[3-(2-hydroxyethylamino)propylamino]ethylsulfanylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.08032 Da
Monoisotopic Mass

-4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.08760 155.8
[M+Na]+ 281.06954 158.7
[M-H]- 257.07304 149.8
[M+NH4]+ 276.11414 170.5
[M+K]+ 297.04348 155.6
[M+H-H2O]+ 241.07758 147.3
[M+HCOO]- 303.07852 176.1
[M+CH3COO]- 317.09417 191.1
[M+Na-2H]- 279.05499 156.2
[M]+ 258.07977 157.5
[M]- 258.08087 157.5
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.