CID 46829304

Palao

Structural Information

Molecular Formula
C9H17N2O7P
SMILES
CC(=O)N[C@@H](CCCNC(=O)CP(=O)(O)O)C(=O)O
InChI
InChI=1S/C9H17N2O7P/c1-6(12)11-7(9(14)15)3-2-4-10-8(13)5-19(16,17)18/h7H,2-5H2,1H3,(H,10,13)(H,11,12)(H,14,15)(H2,16,17,18)/t7-/m0/s1
InChIKey
KUGZSRGMHASJIM-ZETCQYMHSA-N
Compound name
(2S)-2-acetamido-5-[(2-phosphonoacetyl)amino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

296.07733 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.08461 164.9
[M+Na]+ 319.06655 167.2
[M-H]- 295.07005 159.4
[M+NH4]+ 314.11115 174.0
[M+K]+ 335.04049 167.7
[M+H-H2O]+ 279.07459 156.9
[M+HCOO]- 341.07553 177.7
[M+CH3COO]- 355.09118 199.8
[M+Na-2H]- 317.05200 162.8
[M]+ 296.07678 165.2
[M]- 296.07788 165.2
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

No patent data available for this compound.