CID 570432

1,3-dicyclohexyl propanedioate

Structural Information

Molecular Formula
C15H24O4
SMILES
C1CCC(CC1)OC(=O)CC(=O)OC2CCCCC2
InChI
InChI=1S/C15H24O4/c16-14(18-12-7-3-1-4-8-12)11-15(17)19-13-9-5-2-6-10-13/h12-13H,1-11H2
InChIKey
XNLLIRWJZUWAAJ-UHFFFAOYSA-N
Compound name
dicyclohexyl propanedioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

179
Patents

268.16745 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.17473 164.7
[M+Na]+ 291.15667 164.5
[M-H]- 267.16017 168.7
[M+NH4]+ 286.20127 179.7
[M+K]+ 307.13061 163.7
[M+H-H2O]+ 251.16471 157.0
[M+HCOO]- 313.16565 179.2
[M+CH3COO]- 327.18130 194.2
[M+Na-2H]- 289.14212 163.9
[M]+ 268.16690 158.5
[M]- 268.16800 158.5
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