CID 155651

Isobutyl benzyl succinate

Structural Information

Molecular Formula
C15H20O4
SMILES
CC(C)COC(=O)CCC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C15H20O4/c1-12(2)10-18-14(16)8-9-15(17)19-11-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3
InChIKey
WKGBHCFKVMNRQO-UHFFFAOYSA-N
Compound name
1-O-benzyl 4-O-(2-methylpropyl) butanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

264.13617 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.14345 162.0
[M+Na]+ 287.12539 172.0
[M+NH4]+ 282.16999 168.0
[M+K]+ 303.09933 166.8
[M-H]- 263.12889 162.0
[M+Na-2H]- 285.11084 166.1
[M]+ 264.13562 163.1
[M]- 264.13672 163.1
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