CID 54690785

Aminopropyl ascorbyl phosphate

Structural Information

Molecular Formula
C9H16NO9P
SMILES
C(CN)COP(=O)(O)OC1=C([C@H](OC1=O)[C@H](CO)O)O
InChI
InChI=1S/C9H16NO9P/c10-2-1-3-17-20(15,16)19-8-6(13)7(5(12)4-11)18-9(8)14/h5,7,11-13H,1-4,10H2,(H,15,16)/t5-,7+/m0/s1
InChIKey
MFCMBWRHOUCXEZ-CAHLUQPWSA-N
Compound name
3-aminopropyl [(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

798
Patents

313.05627 Da
Monoisotopic Mass

-4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.06355 164.0
[M+Na]+ 336.04549 168.5
[M-H]- 312.04899 161.2
[M+NH4]+ 331.09009 175.8
[M+K]+ 352.01943 169.3
[M+H-H2O]+ 296.05353 156.2
[M+HCOO]- 358.05447 185.5
[M+CH3COO]- 372.07012 197.2
[M+Na-2H]- 334.03094 163.4
[M]+ 313.05572 166.9
[M]- 313.05682 166.9
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

patents stripe