CID 339

(2-aminoethyl)phosphonic acid

Structural Information

Molecular Formula
C2H8NO3P
SMILES
C(CP(=O)(O)O)N
InChI
InChI=1S/C2H8NO3P/c3-1-2-7(4,5)6/h1-3H2,(H2,4,5,6)
InChIKey
QQVDJLLNRSOCEL-UHFFFAOYSA-N
Compound name
2-aminoethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

160
References

5645
Patents

125.02418 Da
Monoisotopic Mass

-4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.03146 123.9
[M+Na]+ 148.01340 131.1
[M+NH4]+ 143.05800 129.7
[M+K]+ 163.98734 129.0
[M-H]- 124.01690 120.7
[M+Na-2H]- 145.99885 125.3
[M]+ 125.02363 123.4
[M]- 125.02473 123.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe