CID 138911153

Chebi:144614

Structural Information

Molecular Formula
C10H23N2O7P
SMILES
C(CCN)CCNCC(=O)[C@@H]([C@@H](CO)O)OP(=O)(O)O
InChI
InChI=1S/C10H23N2O7P/c11-4-2-1-3-5-12-6-8(14)10(9(15)7-13)19-20(16,17)18/h9-10,12-13,15H,1-7,11H2,(H2,16,17,18)/t9-,10+/m1/s1
InChIKey
KIZNUUOCZFPQOU-ZJUUUORDSA-N
Compound name
[(3R,4R)-1-(5-aminopentylamino)-4,5-dihydroxy-2-oxopentan-3-yl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.1243 Da
Monoisotopic Mass

-5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.13158 172.6
[M+Na]+ 337.11352 173.4
[M-H]- 313.11702 164.6
[M+NH4]+ 332.15812 172.1
[M+K]+ 353.08746 173.1
[M+H-H2O]+ 297.12156 164.0
[M+HCOO]- 359.12250 179.2
[M+CH3COO]- 373.13815 202.4
[M+Na-2H]- 335.09897 169.4
[M]+ 314.12375 172.4
[M]- 314.12485 172.4
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.