CID 101617

(1-phenylpentyl) hydrogen succinate

Structural Information

Molecular Formula
C15H20O4
SMILES
CCCCC(C1=CC=CC=C1)OC(=O)CCC(=O)O
InChI
InChI=1S/C15H20O4/c1-2-3-9-13(12-7-5-4-6-8-12)19-15(18)11-10-14(16)17/h4-8,13H,2-3,9-11H2,1H3,(H,16,17)
InChIKey
NIACDRXJTWKKRD-UHFFFAOYSA-N
Compound name
4-oxo-4-(1-phenylpentoxy)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

264.13617 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.14345 162.6
[M+Na]+ 287.12539 171.9
[M+NH4]+ 282.16999 168.2
[M+K]+ 303.09933 167.1
[M-H]- 263.12889 162.0
[M+Na-2H]- 285.11084 166.0
[M]+ 264.13562 163.3
[M]- 264.13672 163.3
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