CID 114563

3-benzyloxy-1,2-diacetyl-1,2-propanediol

Structural Information

Molecular Formula
C14H18O5
SMILES
CC(=O)OCC(COCC1=CC=CC=C1)OC(=O)C
InChI
InChI=1S/C14H18O5/c1-11(15)18-10-14(19-12(2)16)9-17-8-13-6-4-3-5-7-13/h3-7,14H,8-10H2,1-2H3
InChIKey
PZJWZGWBDMSONK-UHFFFAOYSA-N
Compound name
(2-acetyloxy-3-phenylmethoxypropyl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

266.11542 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.12270 160.3
[M+Na]+ 289.10464 169.9
[M+NH4]+ 284.14924 165.9
[M+K]+ 305.07858 165.7
[M-H]- 265.10814 159.8
[M+Na-2H]- 287.09009 164.2
[M]+ 266.11487 161.2
[M]- 266.11597 161.2
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