CID 56936196

6,9-hentriacontadiene

Structural Information

Molecular Formula
C31H60
SMILES
CCCCCCCCCCCCCCCCCCCCC/C=C/C/C=C/CCCCC
InChI
InChI=1S/C31H60/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19H,3-10,12,14-16,18,20-31H2,1-2H3/b13-11+,19-17+
InChIKey
RNAQFDIFLHTKJB-GRAPOSQESA-N
Compound name
(6E,9E)-hentriaconta-6,9-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.4695 Da
Monoisotopic Mass

15.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.47678 226.9
[M+Na]+ 455.45872 224.5
[M-H]- 431.46222 222.4
[M+NH4]+ 450.50332 227.2
[M+K]+ 471.43266 216.5
[M+H-H2O]+ 415.46676 218.1
[M+HCOO]- 477.46770 243.3
[M+CH3COO]- 491.48335 239.1
[M+Na-2H]- 453.44417 220.7
[M]+ 432.46895 236.1
[M]- 432.47005 236.1
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.