CID 12151622

Dinonyl cyclohexane-1,2-dicarboxylate

Structural Information

Molecular Formula
C26H48O4
SMILES
CCCCCCCCCOC(=O)C1CCCCC1C(=O)OCCCCCCCCC
InChI
InChI=1S/C26H48O4/c1-3-5-7-9-11-13-17-21-29-25(27)23-19-15-16-20-24(23)26(28)30-22-18-14-12-10-8-6-4-2/h23-24H,3-22H2,1-2H3
InChIKey
GGLHXZYMYYBBHT-UHFFFAOYSA-N
Compound name
dinonyl cyclohexane-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

354
Patents

424.35526 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.362536 215.9
[M+Na]+ 447.344478 213.8
[M-H]- 423.347984 215.4
[M+NH4]+ 442.389083 225.6
[M+K]+ 463.318418 210.3
[M+H-H2O]+ 407.352520 207.1
[M+HCOO]- 469.353461 229.5
[M+CH3COO]- 483.369111 230.9
[M+Na-2H]- 445.329926 209.1
[M]+ 424.35471142 221.0
[M]- 424.35580858 221.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe