CID 445026

(7r,8s)-8-amino-7-{[(phosphonooxy)carbonyl]amino}nonanoic acid

Structural Information

Molecular Formula
C10H21N2O7P
SMILES
C[C@@H]([C@@H](CCCCCC(=O)O)NC(=O)OP(=O)(O)O)N
InChI
InChI=1S/C10H21N2O7P/c1-7(11)8(5-3-2-4-6-9(13)14)12-10(15)19-20(16,17)18/h7-8H,2-6,11H2,1H3,(H,12,15)(H,13,14)(H2,16,17,18)/t7-,8+/m0/s1
InChIKey
UJJZZEABROBUCE-JGVFFNPUSA-N
Compound name
(7R,8S)-8-amino-7-(phosphonooxycarbonylamino)nonanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.10864 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.11592 171.5
[M+Na]+ 335.09786 173.1
[M-H]- 311.10136 165.2
[M+NH4]+ 330.14246 174.2
[M+K]+ 351.07180 173.6
[M+H-H2O]+ 295.10590 163.2
[M+HCOO]- 357.10684 177.5
[M+CH3COO]- 371.12249 203.3
[M+Na-2H]- 333.08331 167.7
[M]+ 312.10809 171.8
[M]- 312.10919 171.8
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.