CID 25244004

5-(aminomethyl)-3-furanmethanol phosphate

Structural Information

Molecular Formula
C6H10NO5P
SMILES
C1=C(OC=C1COP(=O)(O)O)CN
InChI
InChI=1S/C6H10NO5P/c7-2-6-1-5(3-11-6)4-12-13(8,9)10/h1,3H,2,4,7H2,(H2,8,9,10)
InChIKey
UAFNGMRXHNAKEN-UHFFFAOYSA-N
Compound name
[5-(aminomethyl)furan-3-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

207.02966 Da
Monoisotopic Mass

-4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.03694 142.3
[M+Na]+ 230.01888 149.4
[M-H]- 206.02238 142.5
[M+NH4]+ 225.06348 160.1
[M+K]+ 245.99282 149.5
[M+H-H2O]+ 190.02692 135.0
[M+HCOO]- 252.02786 169.5
[M+CH3COO]- 266.04351 179.7
[M+Na-2H]- 228.00433 145.9
[M]+ 207.02911 144.2
[M]- 207.03021 144.2
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.