CID 3065998

(2-((2-amino-1-oxopropyl)amino)ethyl)phosphonic acid

Structural Information

Molecular Formula
C5H13N2O4P
SMILES
CC(C(=O)NCCP(=O)(O)O)N
InChI
InChI=1S/C5H13N2O4P/c1-4(6)5(8)7-2-3-12(9,10)11/h4H,2-3,6H2,1H3,(H,7,8)(H2,9,10,11)
InChIKey
NUWKXSPWLLPBOA-UHFFFAOYSA-N
Compound name
2-(2-aminopropanoylamino)ethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

196.0613 Da
Monoisotopic Mass

-5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.06858 144.1
[M+Na]+ 219.05052 148.8
[M-H]- 195.05402 140.0
[M+NH4]+ 214.09512 161.4
[M+K]+ 235.02446 148.6
[M+H-H2O]+ 179.05856 136.8
[M+HCOO]- 241.05950 169.3
[M+CH3COO]- 255.07515 183.1
[M+Na-2H]- 217.03597 144.6
[M]+ 196.06075 142.3
[M]- 196.06185 142.3
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