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]+ 229.010786 141.9
[M+Na]+ 250.992728 148.4
[M-H]- 226.996234 138.2
[M+NH4]+ 246.037333 158.6
[M+K]+ 266.966668 149.6
[M+H-H2O]+ 211.000770 134.8
[M+HCOO]- 273.001711 167.9
[M+CH3COO]- 287.017361 181.0
[M+Na-2H]- 248.978176 145.6
[M]+ 228.00296142 148.9
[M]- 228.00405858 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