CID 169793

1-phenylpropane-1,3-diyl diformate

Structural Information

Molecular Formula
C11H12O4
SMILES
C1=CC=C(C=C1)C(CCOC=O)OC=O
InChI
InChI=1S/C11H12O4/c12-8-14-7-6-11(15-9-13)10-4-2-1-3-5-10/h1-5,8-9,11H,6-7H2
InChIKey
RDCASYVPNQBLPI-UHFFFAOYSA-N
Compound name
(3-formyloxy-3-phenylpropyl) formate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.07356 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.08084 144.4
[M+Na]+ 231.06278 155.9
[M+NH4]+ 226.10738 151.4
[M+K]+ 247.03672 150.0
[M-H]- 207.06628 145.0
[M+Na-2H]- 229.04823 150.3
[M]+ 208.07301 146.0
[M]- 208.07411 146.0
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.