CID 114112

Pentaphos

Structural Information

Molecular Formula
C7H19N2O3PS
SMILES
C(CCN)CCNCCSP(=O)(O)O
InChI
InChI=1S/C7H19N2O3PS/c8-4-2-1-3-5-9-6-7-14-13(10,11)12/h9H,1-8H2,(H2,10,11,12)
InChIKey
QFAVBLKMVBLZHV-UHFFFAOYSA-N
Compound name
2-(5-aminopentylamino)ethylsulfanylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

242.0854 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.09268 153.7
[M+Na]+ 265.07462 157.3
[M-H]- 241.07812 148.8
[M+NH4]+ 260.11922 169.7
[M+K]+ 281.04856 154.2
[M+H-H2O]+ 225.08266 145.3
[M+HCOO]- 287.08360 174.6
[M+CH3COO]- 301.09925 190.7
[M+Na-2H]- 263.06007 153.1
[M]+ 242.08485 155.0
[M]- 242.08595 155.0
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

patents stripe