CID 167737

Phthalic acid, dicyclopentyl ester

Structural Information

Molecular Formula
C18H22O4
SMILES
C1CCC(C1)OC(=O)C2=CC=CC=C2C(=O)OC3CCCC3
InChI
InChI=1S/C18H22O4/c19-17(21-13-7-1-2-8-13)15-11-5-6-12-16(15)18(20)22-14-9-3-4-10-14/h5-6,11-14H,1-4,7-10H2
InChIKey
VJRYKEVCESIEGM-UHFFFAOYSA-N
Compound name
dicyclopentyl benzene-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

302.1518 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.15908 173.6
[M+Na]+ 325.14102 181.6
[M+NH4]+ 320.18562 180.8
[M+K]+ 341.11496 179.8
[M-H]- 301.14452 176.8
[M+Na-2H]- 323.12647 178.1
[M]+ 302.15125 175.2
[M]- 302.15235 175.2
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