CID 131751808

12,14-dotriacontanedione

Structural Information

Molecular Formula
C32H62O2
SMILES
CCCCCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCCCC
InChI
InChI=1S/C32H62O2/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-25-27-29-32(34)30-31(33)28-26-24-22-20-12-10-8-6-4-2/h3-30H2,1-2H3
InChIKey
NBEFZVNVBXJZFK-UHFFFAOYSA-N
Compound name
dotriacontane-12,14-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.47498 Da
Monoisotopic Mass

13.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.48226 238.5
[M+Na]+ 501.46420 240.1
[M+NH4]+ 496.50880 237.7
[M+K]+ 517.43814 238.3
[M-H]- 477.46770 222.0
[M+Na-2H]- 499.44965 238.2
[M]+ 478.47443 234.0
[M]- 478.47553 234.0
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

No patent data available for this compound.