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

79
Patents

148.03717 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.04445 126.0
[M+Na]+ 171.02639 133.4
[M-H]- 147.02989 125.0
[M+NH4]+ 166.07099 146.4
[M+K]+ 187.00033 134.1
[M+H-H2O]+ 131.03443 121.3
[M+HCOO]- 193.03537 149.2
[M+CH3COO]- 207.05102 170.5
[M+Na-2H]- 169.01184 132.0
[M]+ 148.03662 130.2
[M]- 148.03772 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

literature stripe

Patent stripe

patents stripe