CID 6430702

9-nonacosene

Structural Information

Molecular Formula
C29H58
SMILES
CCCCCCCCCCCCCCCCCCC/C=C/CCCCCCCC
InChI
InChI=1S/C29H58/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/h17,19H,3-16,18,20-29H2,1-2H3/b19-17+
InChIKey
LPRICKRYSNFONS-HTXNQAPBSA-N
Compound name
(E)-nonacos-9-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

406.45386 Da
Monoisotopic Mass

15.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.46114 220.0
[M+Na]+ 429.44308 218.0
[M-H]- 405.44658 215.9
[M+NH4]+ 424.48768 231.2
[M+K]+ 445.41702 211.1
[M+H-H2O]+ 389.45112 211.4
[M+HCOO]- 451.45206 236.3
[M+CH3COO]- 465.46771 234.7
[M+Na-2H]- 427.42853 214.8
[M]+ 406.45331 229.3
[M]- 406.45441 229.3
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

patents stripe