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]+ 463.45098 233.5
[M+Na]+ 485.43292 238.1
[M-H]- 461.43642 215.3
[M+NH4]+ 480.47752 231.0
[M+K]+ 501.40686 224.1
[M+H-H2O]+ 445.44096 224.6
[M+HCOO]- 507.44190 238.4
[M+CH3COO]- 521.45755 243.7
[M+Na-2H]- 483.41837 224.9
[M]+ 462.44315 231.3
[M]- 462.44425 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.