CID 192866

1,2,3-propanetriol, 1,2-diformate

Structural Information

Molecular Formula
C5H8O5
SMILES
C(C(COC=O)OC=O)O
InChI
InChI=1S/C5H8O5/c6-1-5(10-4-8)2-9-3-7/h3-6H,1-2H2
InChIKey
JYNGWFMXEJIJEE-UHFFFAOYSA-N
Compound name
(2-formyloxy-3-hydroxypropyl) formate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

78
Patents

148.03717 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.044446 126.0
[M+Na]+ 171.026388 133.4
[M-H]- 147.029894 125.0
[M+NH4]+ 166.070993 146.4
[M+K]+ 187.000328 134.1
[M+H-H2O]+ 131.034430 121.3
[M+HCOO]- 193.035371 149.2
[M+CH3COO]- 207.051021 170.5
[M+Na-2H]- 169.011836 132.0
[M]+ 148.03662142 130.2
[M]- 148.03771858 130.2
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.