CID 88465069

10,12-dotriacontanedione

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
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 236.1
[M+Na]+ 501.46420 243.2
[M-H]- 477.46770 220.0
[M+NH4]+ 496.50880 236.4
[M+K]+ 517.43814 243.0
[M+H-H2O]+ 461.47224 230.2
[M+HCOO]- 523.47318 243.0
[M+CH3COO]- 537.48883 247.9
[M+Na-2H]- 499.44965 230.3
[M]+ 478.47443 237.2
[M]- 478.47553 237.2
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