CID 12265815

59694-10-9

Structural Information

Molecular Formula
C19H20O4
SMILES
CC(CC(C)OC(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2
InChI
InChI=1S/C19H20O4/c1-14(22-18(20)16-9-5-3-6-10-16)13-15(2)23-19(21)17-11-7-4-8-12-17/h3-12,14-15H,13H2,1-2H3
InChIKey
JKKDDLAPNLMFHW-UHFFFAOYSA-N
Compound name
4-benzoyloxypentan-2-yl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

868
Patents

312.13617 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.143446 174.5
[M+Na]+ 335.125388 178.2
[M-H]- 311.128894 180.3
[M+NH4]+ 330.169993 188.1
[M+K]+ 351.099328 176.4
[M+H-H2O]+ 295.133430 166.1
[M+HCOO]- 357.134371 194.4
[M+CH3COO]- 371.150021 205.6
[M+Na-2H]- 333.110836 175.1
[M]+ 312.13562142 177.0
[M]- 312.13671858 177.0
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