CID 29217

18699-41-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

302.1518 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.15908 173.6
[M+Na]+ 325.14102 176.0
[M-H]- 301.14452 182.2
[M+NH4]+ 320.18562 190.9
[M+K]+ 341.11496 174.0
[M+H-H2O]+ 285.14906 166.3
[M+HCOO]- 347.15000 192.9
[M+CH3COO]- 361.16565 199.4
[M+Na-2H]- 323.12647 169.8
[M]+ 302.15125 170.6
[M]- 302.15235 170.6
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