CID 250135

2929-77-3

Structural Information

Molecular Formula
C15H20O4
SMILES
CCCC(=O)OC(C1=CC=CC=C1)OC(=O)CCC
InChI
InChI=1S/C15H20O4/c1-3-8-13(16)18-15(19-14(17)9-4-2)12-10-6-5-7-11-12/h5-7,10-11,15H,3-4,8-9H2,1-2H3
InChIKey
IILGMMOASHOVOP-UHFFFAOYSA-N
Compound name
[butanoyloxy(phenyl)methyl] butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

264.13617 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.143446 162.9
[M+Na]+ 287.125388 167.5
[M-H]- 263.128894 165.6
[M+NH4]+ 282.169993 179.1
[M+K]+ 303.099328 166.5
[M+H-H2O]+ 247.133430 155.8
[M+HCOO]- 309.134371 183.8
[M+CH3COO]- 323.150021 196.9
[M+Na-2H]- 285.110836 164.1
[M]+ 264.13562142 167.3
[M]- 264.13671858 167.3
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

patents stripe