CID 67113211

1200806-67-2

Structural Information

Molecular Formula
C19H26O4
SMILES
CCCCOC(=O)C1CCCCC1C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C19H26O4/c1-2-3-13-22-18(20)16-11-7-8-12-17(16)19(21)23-14-15-9-5-4-6-10-15/h4-6,9-10,16-17H,2-3,7-8,11-14H2,1H3
InChIKey
AUJGRANHLVYNRP-UHFFFAOYSA-N
Compound name
2-O-benzyl 1-O-butyl cyclohexane-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

17
Patents

318.1831 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.19038 177.7
[M+Na]+ 341.17232 187.7
[M+NH4]+ 336.21692 184.2
[M+K]+ 357.14626 181.1
[M-H]- 317.17582 180.1
[M+Na-2H]- 339.15777 182.4
[M]+ 318.18255 179.5
[M]- 318.18365 179.5
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