CID 25163995

Erythro-5-phosphonatoooxy-l-lysinium(1-)

Structural Information

Molecular Formula
C6H15N2O6P
SMILES
C(C[C@@H](C(=O)O)N)[C@H](CN)OP(=O)(O)O
InChI
InChI=1S/C6H15N2O6P/c7-3-4(14-15(11,12)13)1-2-5(8)6(9)10/h4-5H,1-3,7-8H2,(H,9,10)(H2,11,12,13)/t4-,5+/m1/s1
InChIKey
WLPXLNNUXMDSPG-UHNVWZDZSA-N
Compound name
(2S,5R)-2,6-diamino-5-phosphonooxyhexanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

39
Patents

242.06677 Da
Monoisotopic Mass

-7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.07405 153.0
[M+Na]+ 265.05599 156.2
[M-H]- 241.05949 146.7
[M+NH4]+ 260.10059 167.1
[M+K]+ 281.02993 156.5
[M+H-H2O]+ 225.06403 145.2
[M+HCOO]- 287.06497 175.1
[M+CH3COO]- 301.08062 189.8
[M+Na-2H]- 263.04144 150.8
[M]+ 242.06622 150.9
[M]- 242.06732 150.9
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