CID 383694

Nsc672114

Structural Information

Molecular Formula
C12H25N2O8P
SMILES
C(COCCP(=O)(CCOCCC(C(=O)O)N)O)C(C(=O)O)N
InChI
InChI=1S/C12H25N2O8P/c13-9(11(15)16)1-3-21-5-7-23(19,20)8-6-22-4-2-10(14)12(17)18/h9-10H,1-8,13-14H2,(H,15,16)(H,17,18)(H,19,20)
InChIKey
YFAZENOPUOGDST-UHFFFAOYSA-N
Compound name
2-amino-4-[2-[2-(3-amino-3-carboxypropoxy)ethyl-hydroxyphosphoryl]ethoxy]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.13486 Da
Monoisotopic Mass

-7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.14214 179.0
[M+Na]+ 379.12408 185.3
[M-H]- 355.12758 181.6
[M+NH4]+ 374.16868 178.8
[M+K]+ 395.09802 175.4
[M+H-H2O]+ 339.13212 172.2
[M+HCOO]- 401.13306 180.8
[M+CH3COO]- 415.14871 212.4
[M+Na-2H]- 377.10953 176.0
[M]+ 356.13431 169.8
[M]- 356.13541 169.8
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.