CID 14017

(aminomethyl)phosphonic acid

Structural Information

Molecular Formula
CH6NO3P
SMILES
C(N)P(=O)(O)O
InChI
InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5)
InChIKey
MGRVRXRGTBOSHW-UHFFFAOYSA-N
Compound name
aminomethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

290
References

20671
Patents

111.00853 Da
Monoisotopic Mass

-4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.01581 121.1
[M+Na]+ 133.99775 128.8
[M-H]- 110.00125 117.6
[M+NH4]+ 129.04235 142.5
[M+K]+ 149.97169 128.4
[M+H-H2O]+ 94.005790 115.3
[M+HCOO]- 156.00673 148.2
[M+CH3COO]- 170.02238 163.3
[M+Na-2H]- 131.98320 125.7
[M]+ 111.00798 119.5
[M]- 111.00908 119.5
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