CID 45479511

2-amino-3-(phosphomethylphosphinyl)propanoate

Structural Information

Molecular Formula
C4H11NO7P2
SMILES
C(C(C(=O)O)N)P(=O)(CP(=O)(O)O)O
InChI
InChI=1S/C4H11NO7P2/c5-3(4(6)7)1-13(8,9)2-14(10,11)12/h3H,1-2,5H2,(H,6,7)(H,8,9)(H2,10,11,12)
InChIKey
UXBKWDOSNBQQLQ-UHFFFAOYSA-N
Compound name
2-amino-3-[hydroxy(phosphonomethyl)phosphoryl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.00107 Da
Monoisotopic Mass

-6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.00835 153.5
[M+Na]+ 269.99029 158.1
[M-H]- 245.99379 145.6
[M+NH4]+ 265.03489 145.2
[M+K]+ 285.96423 158.0
[M+H-H2O]+ 229.99833 144.9
[M+HCOO]- 291.99927 159.3
[M+CH3COO]- 306.01492 184.7
[M+Na-2H]- 267.97574 153.0
[M]+ 247.00052 152.7
[M]- 247.00162 152.7
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

No patent data available for this compound.