CID 124992

N-(phosphonoacetyl)-l-ornithine

Structural Information

Molecular Formula
C7H15N2O6P
SMILES
C(C[C@@H](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)/t5-/m0/s1
InChIKey
FCIHAQFHXJOLIF-YFKPBYRVSA-N
Compound name
(2S)-2-amino-5-[(2-phosphonoacetyl)amino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

14
References

10
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 156.0
[M+Na]+ 277.05599 159.2
[M-H]- 253.05949 150.1
[M+NH4]+ 272.10059 169.9
[M+K]+ 293.02993 159.0
[M+H-H2O]+ 237.06403 148.2
[M+HCOO]- 299.06497 178.7
[M+CH3COO]- 313.08062 191.6
[M+Na-2H]- 275.04144 154.5
[M]+ 254.06622 154.5
[M]- 254.06732 154.5
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