CID 5460104

Schembl21169972

Structural Information

Molecular Formula
C5H9O8P
SMILES
C(C(COP(=O)(O)O)OC=O)OC=O
InChI
InChI=1S/C5H9O8P/c6-3-11-1-5(12-4-7)2-13-14(8,9)10/h3-5H,1-2H2,(H2,8,9,10)
InChIKey
YOMDOOYNZDMRMW-UHFFFAOYSA-N
Compound name
(2-formyloxy-3-phosphonooxypropyl) formate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

228.00351 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.01079 141.9
[M+Na]+ 250.99273 148.4
[M-H]- 226.99623 138.2
[M+NH4]+ 246.03733 158.6
[M+K]+ 266.96667 149.6
[M+H-H2O]+ 211.00077 134.8
[M+HCOO]- 273.00171 167.9
[M+CH3COO]- 287.01736 181.0
[M+Na-2H]- 248.97818 145.6
[M]+ 228.00296 148.9
[M]- 228.00406 148.9
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