CID 45479475

1-[2-[hydroxy(phosphonooxy)phosphoryl]oxyacetyl]pyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C7H13NO10P2
SMILES
C1CC(N(C1)C(=O)COP(=O)(O)OP(=O)(O)O)C(=O)O
InChI
InChI=1S/C7H13NO10P2/c9-6(8-3-1-2-5(8)7(10)11)4-17-20(15,16)18-19(12,13)14/h5H,1-4H2,(H,10,11)(H,15,16)(H2,12,13,14)
InChIKey
JFTJDUMMWOSHFL-UHFFFAOYSA-N
Compound name
1-[2-[hydroxy(phosphonooxy)phosphoryl]oxyacetyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.00146 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.00874 162.7
[M+Na]+ 355.99068 165.6
[M-H]- 331.99418 156.9
[M+NH4]+ 351.03528 169.2
[M+K]+ 371.96462 167.6
[M+H-H2O]+ 315.99872 153.3
[M+HCOO]- 377.99966 185.7
[M+CH3COO]- 392.01531 194.8
[M+Na-2H]- 353.97613 162.4
[M]+ 333.00091 164.2
[M]- 333.00201 164.2
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.