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

6453
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 125.9
[M+Na]+ 148.01340 133.1
[M-H]- 124.01690 122.2
[M+NH4]+ 143.05800 146.7
[M+K]+ 163.98734 132.5
[M+H-H2O]+ 108.02144 119.8
[M+HCOO]- 170.02238 152.6
[M+CH3COO]- 184.03803 166.4
[M+Na-2H]- 145.99885 129.9
[M]+ 125.02363 124.6
[M]- 125.02473 124.6
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