CID 114108

S-2-((6-aminohexyl)amino)ethyl dihydrogen phosphorothioate

Structural Information

Molecular Formula
C8H21N2O3PS
SMILES
C(CCCNCCSP(=O)(O)O)CCN
InChI
InChI=1S/C8H21N2O3PS/c9-5-3-1-2-4-6-10-7-8-15-14(11,12)13/h10H,1-9H2,(H2,11,12,13)
InChIKey
LZXCLTHPCSKHRJ-UHFFFAOYSA-N
Compound name
2-(6-aminohexylamino)ethylsulfanylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.10104 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.10832 158.1
[M+Na]+ 279.09026 161.3
[M-H]- 255.09376 152.9
[M+NH4]+ 274.13486 173.5
[M+K]+ 295.06420 157.9
[M+H-H2O]+ 239.09830 149.4
[M+HCOO]- 301.09924 178.7
[M+CH3COO]- 315.11489 193.8
[M+Na-2H]- 277.07571 157.0
[M]+ 256.10049 159.7
[M]- 256.10159 159.7
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.