CID 15463586

(z)-hentriacont-22-ene-2,4-dione

Structural Information

Molecular Formula
C31H58O2
SMILES
CCCCCCCC/C=C\CCCCCCCCCCCCCCCCCC(=O)CC(=O)C
InChI
InChI=1S/C31H58O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-31(33)29-30(2)32/h10-11H,3-9,12-29H2,1-2H3/b11-10-
InChIKey
PCUWNQVNMSDXMY-KHPPLWFESA-N
Compound name
(Z)-hentriacont-22-ene-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.4437 Da
Monoisotopic Mass

12.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.450976 233.5
[M+Na]+ 485.432918 238.1
[M-H]- 461.436424 215.3
[M+NH4]+ 480.477523 231.0
[M+K]+ 501.406858 224.1
[M+H-H2O]+ 445.440960 224.6
[M+HCOO]- 507.441901 238.4
[M+CH3COO]- 521.457551 243.7
[M+Na-2H]- 483.418366 224.9
[M]+ 462.44315142 231.3
[M]- 462.44424858 231.3
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.