CID 131751788

12,14-triacontanedione

Structural Information

Molecular Formula
C30H58O2
SMILES
CCCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCCCC
InChI
InChI=1S/C30H58O2/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-25-27-30(32)28-29(31)26-24-22-20-18-12-10-8-6-4-2/h3-28H2,1-2H3
InChIKey
JLZREPQLKPXUNF-UHFFFAOYSA-N
Compound name
triacontane-12,14-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.4437 Da
Monoisotopic Mass

12.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.45098 230.9
[M+Na]+ 473.43292 236.4
[M-H]- 449.43642 213.6
[M+NH4]+ 468.47752 229.4
[M+K]+ 489.40686 222.4
[M+H-H2O]+ 433.44096 222.0
[M+HCOO]- 495.44190 236.7
[M+CH3COO]- 509.45755 242.2
[M+Na-2H]- 471.41837 222.8
[M]+ 450.44315 230.3
[M]- 450.44425 230.3
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

No patent data available for this compound.