CID 3286787

N-delta-(phosphonoacetyl)-l-ornithine

Structural Information

Molecular Formula
C7H15N2O6P
SMILES
C(CC(C(=O)O)N)CNC(=O)CP(=O)(O)O
InChI
InChI=1S/C7H15N2O6P/c8-5(7(11)12)2-1-3-9-6(10)4-16(13,14)15/h5H,1-4,8H2,(H,9,10)(H,11,12)(H2,13,14,15)
InChIKey
FCIHAQFHXJOLIF-UHFFFAOYSA-N
Compound name
2-amino-5-[(2-phosphonoacetyl)amino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

0
Patents

254.06677 Da
Monoisotopic Mass

-5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.07405 156.3
[M+Na]+ 277.05599 158.1
[M+NH4]+ 272.10059 157.6
[M+K]+ 293.02993 159.7
[M-H]- 253.05949 149.7
[M+Na-2H]- 275.04144 152.7
[M]+ 254.06622 153.5
[M]- 254.06732 153.5
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.