CID 56936191

5,9-nonacosadiene

Structural Information

Molecular Formula
C29H56
SMILES
CCCCCCCCCCCCCCCCCCC/C=C/CC/C=C/CCCC
InChI
InChI=1S/C29H56/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h9,11,17,19H,3-8,10,12-16,18,20-29H2,1-2H3/b11-9+,19-17+
InChIKey
RRDKJAQURBRDKI-QNBOAHBYSA-N
Compound name
(5E,9E)-nonacosa-5,9-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.4382 Da
Monoisotopic Mass

14.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.44548 218.4
[M+Na]+ 427.42742 216.9
[M-H]- 403.43092 214.4
[M+NH4]+ 422.47202 229.7
[M+K]+ 443.40136 209.4
[M+H-H2O]+ 387.43546 210.0
[M+HCOO]- 449.43640 235.0
[M+CH3COO]- 463.45205 233.3
[M+Na-2H]- 425.41287 213.3
[M]+ 404.43765 226.9
[M]- 404.43875 226.9
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.